7-(4-fluorophenyl)-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-(4-fluorophenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-fluorophenyl)-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: | G802-0417 |
| Compound Name: | 7-(4-fluorophenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C22 H16 F N5 O2 S |
| Smiles: | Cc1c(C(CSc2nnc3C(N(C=Cn23)c2ccc(cc2)F)=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.4233 |
| logD: | 2.4233 |
| logSw: | -2.7687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.875 |
| InChI Key: | XFAGUIZRNZQHRE-UHFFFAOYSA-N |