53347941
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255
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6.1105
10.8803
5.5714
2.4067
4.6215
11.2375
7.5887
6.2038
11.2375
11.8211
10.2913
10.2913
9.4252
9.4252
11.5481
8.5592
8.5592
12.5267
7.6932
12.8373
6.7796
6.6105
5.2092
4.8025
3.808
5.3903
4.9836
3.4013
3.989
5.1646
2
10.9865
11.7749
12.282
12.282
9.4252
9.4252
8.0223
12.5472
13.1405
13.4266
13.0299
12.248
6.6507
6.5682
3.4436
6.0069
3.7369
4.5982
4.9124
5.731
1.4336
1.7478
2.5664
0.9972
4.8332
-4.332
-2.9231
-0.0779
3.1383
0.3391
-0.7824
1.5289
2.3336
1.8336
2.8336
1.3336
3.3336
4.0888
1.8336
2.8336
4.2951
1.3336
5.2456
1.7403
0.1312
-0.8869
-1.8005
-1.905
-2.6095
-3.523
-2.8185
-3.6276
-5.2456
-3.8366
0.962
1.2196
1.9189
2.7483
0.7136
3.9536
3.1436
3.6754
4.2077
5.053
5.8349
5.4382
2.3468
-1.284
-1.4034
-2.5447
-4.194
-4.9934
-5.812
-5.4978
-3.5844
-4.403
-4.0888
8
8
8
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8
1
1
7
7
11
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28
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
638
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B3800400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CC5DE06B3D793C81408AC032572740082F8A9652A390988353E6CD88C27B2E4BD9B8431286DC717C8E9A7BAE8DC8E08000308000200001000061000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-(1-propanoylindolin-5-yl)thiazol-2-yl]benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]benzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,5-dimethoxy-N-[4-(1-propionylindolin-5-yl)thiazol-2-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H23N3O4S/c1-4-21(27)26-8-7-15-9-14(5-6-20(15)26)19-13-31-23(24-19)25-22(28)16-10-17(29-2)12-18(11-16)30-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,25,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
RVQOWIXXQMMANY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
437.140927
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C23H23N3O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
437.51142
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
437.140927
31
0
0
0
0
0
0
0
1
3