N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 7445-0004 |
| Compound Name: | N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H12 Br N3 O4 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1ccc2c(c1)nc(c1cc(cnc1)[Br])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2604 |
| logD: | 4.2603 |
| logSw: | -4.3315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.863 |
| InChI Key: | QOTMJEYXWYTONP-UHFFFAOYSA-N |