N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | V003-4091 |
| Compound Name: | N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide |
| Molecular Weight: | 534.61 |
| Molecular Formula: | C30 H34 N2 O7 |
| Smiles: | CCC1C(N(CCc2ccc(c(c2)OC)OC)Cc2cc(ccc2O1)NC(c1c(cccc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8582 |
| logD: | 3.799 |
| logSw: | -4.2308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.367 |
| InChI Key: | INRBGNCDZXUZRK-QFIPXVFZSA-N |