2-oxo-2-[4-(propan-2-yl)anilino]ethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-oxo-2-[4-(propan-2-yl)anilino]ethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-oxo-2-[4-(propan-2-yl)anilino]ethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2446 |
| Compound Name: | 2-oxo-2-[4-(propan-2-yl)anilino]ethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C27 H26 F N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4944 |
| logD: | 6.4679 |
| logSw: | -5.6905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | MUQBRLMJBWTGKR-UHFFFAOYSA-N |