3-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0377 |
| Compound Name: | 3-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | COc1ccc2c(c1)c(c[nH]2)C(CSc1nnc2C(N(C=Cn12)c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2312 |
| logD: | 2.2312 |
| logSw: | -2.9499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.693 |
| InChI Key: | VNSQUTMWNVRNNW-UHFFFAOYSA-N |