N-[(5-bromo-2-methoxyphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide
Compound characteristics
| Compound ID: | G706-1946 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide |
| Molecular Weight: | 403.27 |
| Molecular Formula: | C19 H19 Br N2 O3 |
| Smiles: | CC(C)c1nc2ccc(cc2o1)C(NCc1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.801 |
| logD: | 4.8009 |
| logSw: | -4.6244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.364 |
| InChI Key: | ROEBSHFXYNZOAC-UHFFFAOYSA-N |