7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0813 |
| Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CCOc1ccc(cc1)C(CSc1nnc2C(N(C=Cn12)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3505 |
| logD: | 3.3505 |
| logSw: | -3.6378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.772 |
| InChI Key: | KQEFLFSBDSQNQD-UHFFFAOYSA-N |