N-[2-(azepan-1-yl)ethyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0146 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C25 H28 N2 O3 |
| Smiles: | Cc1ccc(cc1)C1=C(C(NCCN2CCCCCC2)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0482 |
| logD: | 2.5683 |
| logSw: | -4.166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.536 |
| InChI Key: | ICXDKQIWMNDUFS-UHFFFAOYSA-N |