N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V017-4554 |
| Compound Name: | N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C26 H25 Cl N2 O5 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccc(c(c1)OC)OC)=O)Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2766 |
| logD: | 4.2765 |
| logSw: | -4.5118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.933 |
| InChI Key: | YAXNMUGUJZNCIP-INIZCTEOSA-N |