N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
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-(4-fluorophenyl)acetamide
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | V013-9620 |
| Compound Name: | N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 506.57 |
| Molecular Formula: | C29 H31 F N2 O5 |
| Smiles: | CCC1C(N(CCc2ccc(c(c2)OC)OC)Cc2cc(ccc2O1)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2534 |
| logD: | 4.2534 |
| logSw: | -4.3033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.892 |
| InChI Key: | SZZPPHXOFSTSLI-XMMPIXPASA-N |