N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | F518-0287 |
| Compound Name: | N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C28 H25 N5 O3 S |
| Smiles: | Cc1c(C)nc2nc(c3ccccc3)nn2c1Sc1ccccc1NC(c1c(cccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1763 |
| logD: | 5.1757 |
| logSw: | -5.2093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.737 |
| InChI Key: | PZOBZSJQLYWLSK-UHFFFAOYSA-N |