N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0014 |
| Compound Name: | N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 581.42 |
| Molecular Formula: | C31 H21 Br N2 O5 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2ccc3c(c2)nc(c2ccc(c(c2)[Br])OC)o3)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7837 |
| logD: | 6.7834 |
| logSw: | -5.7078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.5 |
| InChI Key: | VABZKMLNCBVFKD-UHFFFAOYSA-N |