2-[(2-cyanoethyl)(phenyl)amino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-[(2-cyanoethyl)(phenyl)amino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-[(2-cyanoethyl)(phenyl)amino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0370 |
| Compound Name: | 2-[(2-cyanoethyl)(phenyl)amino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | C(CN(C(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 4.537 |
| logD: | 4.5105 |
| logSw: | -4.4226 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.849 |
| InChI Key: | KYLOMHMXRGTXID-UHFFFAOYSA-N |