N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Compound characteristics
| Compound ID: | C798-0301 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide |
| Molecular Weight: | 447.33 |
| Molecular Formula: | C21 H23 Br N2 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(NCc1cc(ccc1OC)[Br])=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8693 |
| logD: | 2.8693 |
| logSw: | -3.276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.148 |
| InChI Key: | JFOXLEPSSPRKEL-UHFFFAOYSA-N |