N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | V003-4214 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide |
| Molecular Weight: | 494.97 |
| Molecular Formula: | C27 H27 Cl N2 O5 |
| Smiles: | CCC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(c1c(cccc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6542 |
| logD: | 4.5951 |
| logSw: | -5.0392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.127 |
| InChI Key: | MZNRWYBSMJIFFF-NRFANRHFSA-N |