N-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
N-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | V029-9231 |
| Compound Name: | N-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C28 H30 N2 O6 |
| Smiles: | CCC1C(N(Cc2ccc(cc2)OC)Cc2cc(ccc2O1)NC(c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7846 |
| logD: | 4.7846 |
| logSw: | -4.6067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.498 |
| InChI Key: | KRBAFHMSTTWIFY-VWLOTQADSA-N |