N-(4-bromo-2-fluorophenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
N-(4-bromo-2-fluorophenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Compound characteristics
| Compound ID: | C798-0308 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide |
| Molecular Weight: | 421.26 |
| Molecular Formula: | C19 H18 Br F N2 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(Nc1ccc(cc1F)[Br])=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9563 |
| logD: | 2.9409 |
| logSw: | -3.3261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.498 |
| InChI Key: | KLQFKSWKPYIHNG-UHFFFAOYSA-N |