5-(4-bromophenyl)-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
5-(4-bromophenyl)-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D519-0510 |
| Compound Name: | 5-(4-bromophenyl)-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C21 H16 Br N3 O4 |
| Smiles: | [H]N(C(c1cc(c2ccc(cc2)[Br])on1)=O)c1ccc2c(c1)N(CC=C)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.228 |
| logD: | 4.2279 |
| logSw: | -4.4847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.945 |
| InChI Key: | CODCHHZZFWXUPY-UHFFFAOYSA-N |