N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | V003-2832 |
| Compound Name: | N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | CCC1C(N(CCc2ccccc2OC)Cc2cc(ccc2O1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8829 |
| logD: | 4.8814 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.475 |
| InChI Key: | IGTKPTZQMBKUQH-HSZRJFAPSA-N |