N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-6026 |
| Compound Name: | N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C26 H23 F N2 O5 |
| Smiles: | CCC1C(N(Cc2ccc(cc2)F)Cc2cc(ccc2O1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4883 |
| logD: | 4.4883 |
| logSw: | -4.3495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.982 |
| InChI Key: | NLLJFOMUPKXLAI-NRFANRHFSA-N |