N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V016-8432 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C26 H26 N2 O6 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(CN(Cc3cccc(c3OC)OC)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2613 |
| logD: | 3.2613 |
| logSw: | -3.5094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.559 |
| InChI Key: | ZGYZQVAQZSWIGQ-UHFFFAOYSA-N |