7-(3-chloro-2-methylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
Compound ID: | G802-0808 |
Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
Molecular Weight: | 424.91 |
Molecular Formula: | C21 H17 Cl N4 O2 S |
Smiles: | Cc1ccc(cc1)C(CSc1nnc2C(N(C=Cn12)c1cccc(c1C)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.405 |
logD: | 3.405 |
logSw: | -3.7805 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 51.648 |
InChI Key: | GFMFLJISNPXUSL-UHFFFAOYSA-N |