N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V017-4739 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | CC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(C1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2467 |
| logD: | 4.2467 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.23 |
| InChI Key: | AXXQSGTXWBKATG-HNNXBMFYSA-N |