2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide
2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | Y042-7336 |
| Compound Name: | 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CC1=C(CC(N[C@@H](CCSC)c2nc3ccccc3n2C)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.6774 |
| logD: | 3.6745 |
| logSw: | -4.0516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.032 |
| InChI Key: | PJNJYOHTEUOZFG-IBGZPJMESA-N |