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15.2318
6.1391
12.2685
4.2506
8.8826
4.5274
5.0274
8.9908
9.6234
8.0779
7.4134
7.9097
10.5755
6.4189
9.8008
5.8311
7.9751
11.3163
3.7183
4.837
5.3364
9.698
8.7851
4.0274
2.7029
3.3424
2
2.3219
13.0093
13.9614
12.798
14.7022
13.5388
14.4909
9.9126
9.1335
7.6565
10.2863
11.0654
6.1667
10.3667
7.4092
11.6055
10.8265
10.2002
8.7214
2.5182
3.5408
1.394
1.9088
14.0924
12.2077
15.2925
13.4078
3.1982
0.7719
0.5114
-0.9842
-0.2206
0.7705
2.3093
-1.2088
0.4511
-1.6171
-0.8778
-0.0164
0.1454
-0.9823
-1.7951
-0.1733
-2.6118
0.8171
1.3583
-0.1741
1.3583
-2.7898
-3.1982
2.3093
1.126
3.0941
1.8947
2.8854
1.1831
0.8773
2.1605
1.549
2.8322
2.5265
0.9995
0.8311
0.5495
-0.403
-0.2346
-1.5487
-1.542
-2.8649
1.3655
1.1971
-3.1534
-3.8149
0.5342
3.6815
1.7635
3.3477
0.2713
2.35
1.3595
3.4382
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
773
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B3000440000000000000000000000000162C580003060C000000016005801FE00001E06000000000C0EE1DE263DD6F70C1408A8033577740082D82D7137B009D8203E7ED88C6EE2C5BB9B963828EEC513C8E9A790C0C00E80200000000200200040000000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2Z)-2-[[1-[3-(4-chlorophenoxy)propyl]indol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2Z)-2-[[1-[3-(4-chlorophenoxy)propyl]-3-indolyl]methylidene]-1-thiazolo[3,2-a]benzimidazolone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2Z)-2-[[1-[3-(4-chlorophenoxy)propyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2Z)-2-[[1-[3-(4-chloranylphenoxy)propyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2Z)-2-[[1-[3-(4-chlorophenoxy)propyl]indol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C27H20ClN3O2S/c28-19-10-12-20(13-11-19)33-15-5-14-30-17-18(21-6-1-3-8-23(21)30)16-25-26(32)31-24-9-4-2-7-22(24)29-27(31)34-25/h1-4,6-13,16-17H,5,14-15H2/b25-16-
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WRWFHJPZKGGDOP-XYGWBWBKSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
6.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
485.096476
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C27H20ClN3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
485.9846
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C(=CN2CCCOC3=CC=C(C=C3)Cl)C=C4C(=O)N5C6=CC=CC=C6N=C5S4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C(=CN2CCCOC3=CC=C(C=C3)Cl)/C=C\4/C(=O)N5C6=CC=CC=C6N=C5S4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
74.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
485.096476
34
0
0
0
1
1
0
0
1
1