7-(5-chloro-2-methylphenyl)-3-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(5-chloro-2-methylphenyl)-3-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(5-chloro-2-methylphenyl)-3-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0882 |
| Compound Name: | 7-(5-chloro-2-methylphenyl)-3-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C20 H14 Cl2 N4 O2 S |
| Smiles: | Cc1ccc(cc1N1C=Cn2c(C1=O)nnc2SCC(c1cccc(c1)[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9305 |
| logD: | 3.9305 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.648 |
| InChI Key: | UMQPQUYUDWVWGA-UHFFFAOYSA-N |