4180160
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10.6279
5.5443
2
2
8.6279
7.1279
5.5443
7.1279
4.5981
4.5981
3.732
3.732
2.866
2.866
6.1279
8.6279
7.6279
9.1279
9.1279
10.1279
10.1279
10.6279
2
2
9.1279
3.732
3.732
7.4379
8.8179
10.4379
11.2479
2.62
2
1.38
1.38
2
2.62
8.591
9.4379
9.6648
1.5981
1.5368
1.732
-0.2679
-1.866
-1
-0.0727
0.7321
1.232
0.2321
1.732
-0.2679
1.232
0.2321
0.7321
-0.134
-0.134
-1
0.7321
-1
0.7321
-0.134
2.732
-1.268
-2.732
2.3521
-0.8879
1.269
1.269
-1.5369
-0.134
2.732
3.352
2.732
-1.268
-1.888
-1.268
-3.042
-3.269
-2.422
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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
472
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C07B380044000000000000000000000000016000000030600000000000005801F400001E06100000000C0E81DE2233D7B2C81408AC032572740083F8A9652F3949983D36EED88D26B6E5BF9B84316A6EE11B4AE9A7B8D8238E00E000260008410001C0004C00108200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxy-benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-chloranyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxy-benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxy-benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C17H15ClN2O4S/c1-22-12-5-4-9(18)6-10(12)16(21)20-17-19-11-7-13(23-2)14(24-3)8-15(11)25-17/h4-8H,1-3H3,(H,19,20,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WGDLILGLKGJJQD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
378.044106
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C17H15ClN2O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
378.83
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
97.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
378.044106
25
0
0
0
0
0
0
0
1
3