N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6760 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)propanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC1=CC(=O)Oc2cc(c(CCC(N[C@@H](CCSC)c3nc4ccccc4[nH]3)=O)cc12)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.9537 |
| logD: | 3.953 |
| logSw: | -4.1378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.397 |
| InChI Key: | WCVYLZQRMKLWOR-FQEVSTJZSA-N |