N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y042-7335 |
| Compound Name: | N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(N[C@@H](CCSC)c1nc2ccccc2n1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2587 |
| logD: | 3.2456 |
| logSw: | -3.7842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.985 |
| InChI Key: | IGRUJBLMOORAIT-IBGZPJMESA-N |