N-(3-chlorophenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3-chlorophenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(3-chlorophenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | F781-0172 |
| Compound Name: | N-(3-chlorophenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 438.94 |
| Molecular Formula: | C21 H19 Cl N6 O S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4082 |
| logD: | 5.4081 |
| logSw: | -5.7239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.901 |
| InChI Key: | VAIYYBYULARWNS-UHFFFAOYSA-N |