7-(3-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0833 |
| Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3C(N(C=Cn23)c2cccc(c2C)[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.684 |
| logD: | 4.684 |
| logSw: | -4.7666 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.401 |
| InChI Key: | SXXDAFNCRRAMNK-UHFFFAOYSA-N |