N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | V022-8944 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C20 H22 Cl N3 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(Cc3ccc(cc3)[Cl])C(C(C)O2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4496 |
| logD: | 3.4496 |
| logSw: | -3.7588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.103 |
| InChI Key: | IOXPNLXSMXRLAX-ZDUSSCGKSA-N |