7-(5-chloro-2-methylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(5-chloro-2-methylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(5-chloro-2-methylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0887 |
| Compound Name: | 7-(5-chloro-2-methylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C23 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1N1C=Cn2c(C1=O)nnc2SCC(c1c2ccccc2[nH]c1C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5638 |
| logD: | 3.5638 |
| logSw: | -4.5314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.574 |
| InChI Key: | XYNYJNHERUTWBF-UHFFFAOYSA-N |