3,4-dichloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
3,4-dichloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
3,4-dichloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V004-7735 |
| Compound Name: | 3,4-dichloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 487.36 |
| Molecular Formula: | C25 H21 Cl2 F N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(c(c1)[Cl])[Cl])=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2471 |
| logD: | 6.2354 |
| logSw: | -6.2122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | NNACGCBQJZUAEU-JOCHJYFZSA-N |