N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D345-0769 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6379 |
| logD: | 3.0236 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.438 |
| InChI Key: | NRLJHSBCNKXYMW-QFIPXVFZSA-N |