3-({3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1-sulfonyl}amino)benzoic acid
Chemical Structure Depiction of
3-({3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1-sulfonyl}amino)benzoic acid
3-({3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1-sulfonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8013-1020 |
| Compound Name: | 3-({3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1-sulfonyl}amino)benzoic acid |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C24 H21 N3 O5 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cccc(c3)S(Nc3cccc(c3)C(O)=O)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9627 |
| logD: | 1.8506 |
| logSw: | -4.5986 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.159 |
| InChI Key: | HETVTOOYSHCQGK-CQSZACIVSA-N |