7-(5-chloro-2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(5-chloro-2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(5-chloro-2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0891 |
| Compound Name: | 7-(5-chloro-2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1ccccc1CSc1nnc2C(N(C=Cn12)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3077 |
| logD: | 4.3077 |
| logSw: | -4.5056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.401 |
| InChI Key: | CYDNTMPQXHTVSO-UHFFFAOYSA-N |