N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-5-bromopyridine-3-carboxamide
Chemical Structure Depiction of
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-5-bromopyridine-3-carboxamide
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-5-bromopyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0024 |
| Compound Name: | N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-5-bromopyridine-3-carboxamide |
| Molecular Weight: | 453.32 |
| Molecular Formula: | C20 H13 Br N4 O2 S |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(NC(c1cc(cnc1)[Br])=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.8589 |
| logD: | 4.8483 |
| logSw: | -4.8277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | QZBSZPLQHBWXLU-UHFFFAOYSA-N |