methyl 4-({5-[(ethanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[(ethanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
methyl 4-({5-[(ethanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | J019-0262 |
| Compound Name: | methyl 4-({5-[(ethanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C20 H20 N2 O5 S2 |
| Smiles: | CCS(N(C)c1ccc2c(c1)cc(C(Nc1ccc(cc1)C(=O)OC)=O)s2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1282 |
| logD: | 4.1275 |
| logSw: | -4.267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.237 |
| InChI Key: | KFLKMCJWDGDVSK-UHFFFAOYSA-N |