benzyl {2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Chemical Structure Depiction of
benzyl {2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
benzyl {2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Compound characteristics
| Compound ID: | V003-5160 |
| Compound Name: | benzyl {2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | CCC1C(N(CCc2ccc(cc2)F)Cc2cc(ccc2O1)NC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5864 |
| logD: | 5.5864 |
| logSw: | -5.4548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.301 |
| InChI Key: | VFTKBJFJUALTIT-DEOSSOPVSA-N |