N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
Compound ID: | 4194-0079 |
Compound Name: | N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
Molecular Weight: | 402.47 |
Molecular Formula: | C22 H18 N4 O2 S |
Smiles: | CCc1ccc2c(c1)nc(c1cccc(c1)NC(NC(c1cccnc1)=O)=S)o2 |
Stereo: | ACHIRAL |
logP: | 4.6185 |
logD: | 4.6173 |
logSw: | -4.158 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.568 |
InChI Key: | OAGCOIULUHNDJY-UHFFFAOYSA-N |