N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0181 |
| Compound Name: | N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 567.4 |
| Molecular Formula: | C30 H19 Br N2 O5 |
| Smiles: | COc1ccc(cc1[Br])c1nc2cc(ccc2o1)NC(C1=C(c2ccccc2)c2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2552 |
| logD: | 6.255 |
| logSw: | -5.6207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.5 |
| InChI Key: | NXUZOOKRZJLOCU-UHFFFAOYSA-N |