benzyl {4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Chemical Structure Depiction of
benzyl {4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
benzyl {4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Compound characteristics
| Compound ID: | V003-4908 |
| Compound Name: | benzyl {4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C25 H23 Cl N2 O4 |
| Smiles: | CC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2162 |
| logD: | 5.2162 |
| logSw: | -5.6217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.129 |
| InChI Key: | PPPVKFKDGGJXAP-KRWDZBQOSA-N |