53393838
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255
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5.196
9.9658
4.3858
3.707
10.323
6.6742
5.2893
10.323
10.9066
9.3768
9.3768
8.5108
8.5108
10.6337
7.6447
7.6447
11.6122
6.7787
11.9228
5.8652
5.696
2.809
3.888
3.7226
2.9155
4.2948
2
3.8271
2.1045
3.0181
10.072
10.8604
11.3675
11.3675
8.5108
8.5108
7.1078
11.6327
12.226
12.5121
12.1154
11.3335
5.7362
5.6537
2.4555
1.4336
4.3935
1.6029
3.0829
0.8662
4.7022
-2.7919
-0.2088
3.0074
0.2081
-0.9133
1.3979
2.2027
1.7026
2.7027
1.2026
3.2027
3.9579
1.7026
2.7027
4.1641
1.2026
5.1146
1.6094
0.0002
-3.1256
-1.9314
-3.5323
-2.1372
-1.0179
-3.7134
-4.5269
-4.7079
-5.1146
0.831
1.0887
1.7879
2.6174
0.5827
3.8226
3.0126
3.5445
4.0768
4.922
5.704
5.3072
2.2158
-1.4149
-1.7216
-3.4612
-4.779
-5.0723
-5.7312
8
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8
8
8
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8
8
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8
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8
8
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8
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8
1
1
3
3
6
6
10
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29
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
662
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3000400000000000000000000000000162C4800030600000000000005801FC00001E04100000000C0CC5DE04B3D7D3C81448AC03A572740282F8A9652A39098835FE6CD88E26B2E4BDBF873928ECC713D8E9A798DFE2EE08000200000A00001000040000140000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(1-propanoylindolin-5-yl)thiazol-2-yl]benzofuran-2-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-benzofurancarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(1-propionylindolin-5-yl)thiazol-2-yl]coumarilamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H19N3O3S/c1-2-21(27)26-10-9-15-11-14(7-8-18(15)26)17-13-30-23(24-17)25-22(28)20-12-16-5-3-4-6-19(16)29-20/h3-8,11-13H,2,9-10H2,1H3,(H,24,25,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VAOZYJRAQVDAPF-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.114712
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H19N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.48026
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC5=CC=CC=C5O4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC5=CC=CC=C5O4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
104
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.114712
30
0
0
0
0
0
0
0
1
3