N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F518-0068 |
| Compound Name: | N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | Cc1cccc(c1)C(Nc1ccccc1Sc1c(C)c(C)nc2ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0738 |
| logD: | 4.0738 |
| logSw: | -4.1281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.689 |
| InChI Key: | VTXHUQQDQFDARV-UHFFFAOYSA-N |