N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}propanamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}propanamide
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F518-0299 |
| Compound Name: | N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}propanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CCC(Nc1ccccc1Sc1c(C)c(C)nc2nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3335 |
| logD: | 4.3333 |
| logSw: | -4.1825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.535 |
| InChI Key: | PFFWCORUNGOWMP-UHFFFAOYSA-N |