4-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenyl 3-bromobenzoate
Chemical Structure Depiction of
4-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenyl 3-bromobenzoate
4-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 0850-0261 |
| Compound Name: | 4-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenyl 3-bromobenzoate |
| Molecular Weight: | 497.35 |
| Molecular Formula: | C27 H17 Br N2 O3 |
| Smiles: | C(\c1ccc(cc1)OC(c1cccc(c1)[Br])=O)=N/c1ccc2c(c1)nc(c1ccccc1)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.4226 |
| logD: | 6.4222 |
| logSw: | -6.2484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.554 |
| InChI Key: | QKKGJTMYQKBXRU-UHFFFAOYSA-N |