5-amino-3-{[(2-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-amino-3-{[(2-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-amino-3-{[(2-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | 6737-0606 |
| Compound Name: | 5-amino-3-{[(2-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 307.76 |
| Molecular Formula: | C12 H10 Cl N5 O S |
| Smiles: | C(c1ccccc1[Cl])Sc1nnc2NC(C=C(N)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5933 |
| logD: | 1.5933 |
| logSw: | -2.5443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.973 |
| InChI Key: | PVNBAUZBFRFHKJ-UHFFFAOYSA-N |