2-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
2-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V016-9245 |
| Compound Name: | 2-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C26 H25 Cl N2 O5 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccccc1[Cl])=O)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4952 |
| logD: | 4.4937 |
| logSw: | -4.5962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.019 |
| InChI Key: | ZQJAWYACIIIPDT-MRXNPFEDSA-N |