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6.2916
3.7634
11.0614
4.8025
2.5878
11.4185
7.7697
6.3848
11.4185
12.0021
10.4723
10.4723
9.6063
9.6063
11.7292
8.7403
8.7403
12.7077
7.8742
13.0184
6.9607
6.7916
5.3903
4.9836
3.989
5.5714
3.5823
5.1646
4.1701
2
11.1675
11.9559
12.463
12.463
9.6063
9.6063
8.2033
12.7283
13.3215
13.6077
13.211
12.429
6.8318
6.7492
3.6246
6.188
5.529
2.5016
1.6356
1.4984
0.6449
-4.8933
4.4809
-0.4301
-3.2753
2.7861
-0.0132
-1.1346
1.1766
1.9814
1.4814
2.4814
0.9813
2.9814
3.7366
1.4814
2.4814
3.9428
0.9813
4.8933
1.3881
-0.2211
-1.2392
-2.1527
-2.2572
-2.9617
-3.1708
-3.8753
-3.9798
-2.4663
0.6097
0.8674
1.5666
2.3961
0.3613
3.6014
2.7914
3.3232
3.8555
4.7007
5.4827
5.086
1.9945
-1.6362
-1.7556
-2.8969
-4.3769
-2.1019
-1.9647
-2.8307
8
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1
1
7
7
11
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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
639
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B3100400000000000000000000000000162C0000030600000000000005801D000001F04100000000C0CC5DE0EB3D793C81408AC032572740082F8A9652A390988353E6CD88C26B2E4BD9B8431286CC713C8E9A7BAC8D08E08000300000200001000060000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-fluoro-3-methoxy-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
4-fluoro-3-methoxy-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
4-fluoro-3-methoxy-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
4-fluoranyl-3-methoxy-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
4-fluoro-3-methoxy-N-[4-(1-propionylindolin-5-yl)thiazol-2-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H20FN3O3S/c1-3-20(27)26-9-8-14-10-13(5-7-18(14)26)17-12-30-22(24-17)25-21(28)15-4-6-16(23)19(11-15)29-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
LRYCBIYINTYLJG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
425.120941
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H20FN3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
425.475903
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(=C(C=C4)F)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(=C(C=C4)F)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
99.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
425.120941
30
0
0
0
0
0
0
0
1
3