3-chloro-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
3-chloro-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
3-chloro-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | F518-0611 |
| Compound Name: | 3-chloro-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C21 H18 Cl N5 O S |
| Smiles: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccccc1NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7308 |
| logD: | 4.7307 |
| logSw: | -4.7456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.503 |
| InChI Key: | YXLFYISIUDKZFW-UHFFFAOYSA-N |