7-(3,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0362 |
| Compound Name: | 7-(3,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(C1=O)nnc2SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.468 |
| logD: | 3.468 |
| logSw: | -3.7217 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.246 |
| InChI Key: | MJMSIJQVQHIVJA-UHFFFAOYSA-N |