3-bromo-N-{[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
3-bromo-N-{[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide
3-bromo-N-{[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 4028-1334 |
| Compound Name: | 3-bromo-N-{[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 487.76 |
| Molecular Formula: | C20 H12 Br Cl N4 O2 S |
| Smiles: | c1cc(cc(c1)[Br])C(NC(Nc1cc(ccc1[Cl])c1nc2c(cccn2)o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4744 |
| logD: | 5.4434 |
| logSw: | -6.1389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.726 |
| InChI Key: | YRTRHZNOBSONSC-UHFFFAOYSA-N |