3-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,5-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,5-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,5-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0089 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,5-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(C1=O)nnc2SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.068 |
| logD: | 4.068 |
| logSw: | -4.2657 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | VAAQTUKSTQMWSP-UHFFFAOYSA-N |