N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzamide
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | F518-0261 |
| Compound Name: | N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzamide |
| Molecular Weight: | 465.58 |
| Molecular Formula: | C27 H23 N5 O S |
| Smiles: | Cc1ccc(cc1)C(Nc1ccccc1Sc1c(C)c(C)nc2nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0771 |
| logD: | 6.0769 |
| logSw: | -5.701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.477 |
| InChI Key: | FGPIHWKCRCMJEA-UHFFFAOYSA-N |