3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0588 |
| Compound Name: | 3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C21 H17 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8446 |
| logD: | 3.8446 |
| logSw: | -3.9821 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | RWUIHLGPXCLSGL-UHFFFAOYSA-N |