8-[(azepan-1-yl)methyl]-3-(1H-benzimidazol-2-yl)-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(1H-benzimidazol-2-yl)-7-hydroxy-2H-1-benzopyran-2-one
8-[(azepan-1-yl)methyl]-3-(1H-benzimidazol-2-yl)-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3570-0010 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(1H-benzimidazol-2-yl)-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | C1CCCN(CC1)Cc1c(ccc2C=C(C(=O)Oc12)c1nc2ccccc2[nH]1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1376 |
| logD: | 3.7624 |
| logSw: | -4.0965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.476 |
| InChI Key: | NLJQBQOBRFPOAO-UHFFFAOYSA-N |