5-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]pyridine-3-carboxamide
5-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0023 |
| Compound Name: | 5-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]pyridine-3-carboxamide |
| Molecular Weight: | 453.32 |
| Molecular Formula: | C20 H13 Br N4 O2 S |
| Smiles: | c1ccc(cc1)c1nc2cc(ccc2o1)NC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.739 |
| logD: | 4.7263 |
| logSw: | -4.6468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | CDIBPAYWSNKVEC-UHFFFAOYSA-N |