2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0595 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C17 H13 Cl N6 O S2 |
| Smiles: | C(C1=CC(n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])=O)Sc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9704 |
| logD: | 2.2463 |
| logSw: | -3.5785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.948 |
| InChI Key: | IFBSEETVJFHQES-UHFFFAOYSA-N |