2407803
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255
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4.6551
4.5981
2.866
6.3301
3.732
5.4641
6.2731
5.9641
4.5981
4.9641
6.5519
5.4641
4.5981
3.732
5.4641
3.732
5.4641
4.5981
4.3763
7.5464
6.1452
8.1342
6.7329
7.7275
3.732
2
7.1962
3.1951
6.001
6.001
4.8779
4.0119
3.8747
7.7986
5.5286
8.7508
6.4808
8.0919
3.422
3.1951
4.042
2.31
1.4631
1.69
7.5062
7.7331
6.8862
1.5526
-4.5352
-3.5352
-3.5352
-0.0352
-0.0352
1.5526
2.5036
-1.5352
2.5036
3.3126
0.9648
-3.5352
-3.0352
-3.0352
-2.0352
-2.0352
-0.5352
3.3126
3.2081
4.2262
4.0171
5.0352
4.9307
-5.0352
-3.0352
-3.0352
-1.7252
-1.7252
-0.3452
3.6771
3.8142
2.9482
2.6417
4.291
3.9523
5.6016
5.4323
-4.4983
-5.3452
-5.5722
-2.4983
-2.7252
-3.5722
-3.5722
-2.7252
-2.4983
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1
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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
475
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B380040000000000000000000000000016000000030600000000000000001D000001E04100000000C0C81DE02339792C81408AC032572740082F8A965283909983526CCD88D27B2E4BD1B84312A6DC1174AA9A7BAFC9ECE20000108000040004000021000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
3,4,5-trimethoxy-N-(5-methyl-4-phenyl-thiazol-2-yl)benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
3,4,5-trimethoxy-N-(5-methyl-4-phenyl-2-thiazolyl)benzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
3,4,5-trimethoxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
3,4,5-trimethoxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
3,4,5-trimethoxy-N-(5-methyl-4-phenyl-thiazol-2-yl)benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H20N2O4S/c1-12-17(13-8-6-5-7-9-13)21-20(27-12)22-19(23)14-10-15(24-2)18(26-4)16(11-14)25-3/h5-11H,1-4H3,(H,21,22,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WDECQOSDCKAWOR-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
384.114378
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H20N2O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
384.4488
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C(N=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C(N=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3
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
384.114378
27
0
0
0
0
0
0
0
1
3