methyl 4-({5-[(methanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[(methanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
methyl 4-({5-[(methanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | J019-0067 |
| Compound Name: | methyl 4-({5-[(methanesulfonyl)(methyl)amino]-1-benzothiophene-2-carbonyl}amino)benzoate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C19 H18 N2 O5 S2 |
| Smiles: | CN(c1ccc2c(c1)cc(C(Nc1ccc(cc1)C(=O)OC)=O)s2)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7889 |
| logD: | 3.7882 |
| logSw: | -4.0839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.836 |
| InChI Key: | CRAAQMYBTKLJJW-UHFFFAOYSA-N |