methyl N-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Chemical Structure Depiction of
methyl N-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
methyl N-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Compound characteristics
| Compound ID: | 8016-7667 |
| Compound Name: | methyl N-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7587 |
| logD: | 2.754 |
| logSw: | -3.15 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.256 |
| InChI Key: | GDRLRBCLQZQPAW-KRWDZBQOSA-N |