3-chloro-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
3-chloro-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
3-chloro-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | C301-9183 |
| Compound Name: | 3-chloro-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 409.9 |
| Molecular Formula: | C20 H16 Cl N5 O S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5273 |
| logD: | 4.5265 |
| logSw: | -4.6608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.387 |
| InChI Key: | OVEFVLRIVDUYGQ-UHFFFAOYSA-N |