4-chloro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
4-chloro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Compound characteristics
Compound ID: | 3616-2013 |
Compound Name: | 4-chloro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide |
Molecular Weight: | 408.86 |
Molecular Formula: | C20 H13 Cl N4 O2 S |
Smiles: | c1cc(ccc1C(NC(Nc1ccc2c(c1)nc(c1ccncc1)o2)=S)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.2745 |
logD: | 4.2676 |
logSw: | -4.6984 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.478 |
InChI Key: | GSLKGEUGMLUENY-UHFFFAOYSA-N |