N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K786-3374 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide |
| Molecular Weight: | 461.35 |
| Molecular Formula: | C22 H25 Br N2 O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCc1cc(ccc1OC)[Br])=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2334 |
| logD: | 4.2334 |
| logSw: | -4.4488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.17 |
| InChI Key: | LNIDCSMDAHXFHJ-UHFFFAOYSA-N |