N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6550 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | CC1=C(CC(N[C@@H](C)c2nc3ccccc3[nH]2)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.8066 |
| logD: | 2.8062 |
| logSw: | -3.3336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.846 |
| InChI Key: | QIGPCJJROSSCGO-ZDUSSCGKSA-N |