7-(4-bromophenyl)-3-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0990 |
| Compound Name: | 7-(4-bromophenyl)-3-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C21 H14 Br N5 O2 S |
| Smiles: | C(C(c1c[nH]c2ccccc12)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1943 |
| logD: | 3.1943 |
| logSw: | -3.4539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.82 |
| InChI Key: | MJJFTQUPUNTPIC-UHFFFAOYSA-N |