7-(3-chloro-2-methylphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0817 |
| Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C23 H21 Cl N4 O2 S |
| Smiles: | Cc1cc(C)c(cc1C)C(CSc1nnc2C(N(C=Cn12)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5766 |
| logD: | 4.5766 |
| logSw: | -4.6346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.648 |
| InChI Key: | SSHZFLNVLFSXDN-UHFFFAOYSA-N |