N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V020-6786 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide |
| Molecular Weight: | 436.89 |
| Molecular Formula: | C24 H21 Cl N2 O4 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(CN(Cc3ccc(cc3)[Cl])C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6986 |
| logD: | 3.6985 |
| logSw: | -4.3892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.212 |
| InChI Key: | KUEPKJGHSRFSKJ-UHFFFAOYSA-N |