7-(5-chloro-2-methylphenyl)-3-{[2-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(5-chloro-2-methylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0880 |
| Compound Name: | 7-(5-chloro-2-methylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)C(CSc1nnc2C(N(C=Cn12)c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0247 |
| logD: | 4.0247 |
| logSw: | -4.45 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.648 |
| InChI Key: | CRHNMIXOZZDKTH-UHFFFAOYSA-N |