methyl 2-[2-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)acetamido]benzoate
methyl 2-[2-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G534-1703 |
| Compound Name: | methyl 2-[2-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nc2ccccc2n1CC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9307 |
| logD: | 4.8972 |
| logSw: | -4.6003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.252 |
| InChI Key: | QLCSZOZTYJOLMB-UHFFFAOYSA-N |