N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenyloxane-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenyloxane-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenyloxane-4-carboxamide
Compound characteristics
| Compound ID: | Y042-7008 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenyloxane-4-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(C1(CCOCC1)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7189 |
| logD: | 3.7186 |
| logSw: | -4.0663 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.402 |
| InChI Key: | BYBHTDSLPATVHI-FQEVSTJZSA-N |