7-(3-chloro-2-methylphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
Compound ID: | G802-0830 |
Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[(4-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: | Cc1ccc(CSc2nnc3C(N(C=Cn23)c2cccc(c2C)[Cl])=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6023 |
logD: | 3.6023 |
logSw: | -3.6819 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.401 |
InChI Key: | WUJIYECLKRDBDQ-UHFFFAOYSA-N |