7-(4-bromophenyl)-3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0980 |
| Compound Name: | 7-(4-bromophenyl)-3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}[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(C(CSc2nnc3C(N(C=Cn23)c2ccc(cc2)[Br])=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8164 |
| logD: | 3.8164 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | SZRJTIBUOHHPOL-UHFFFAOYSA-N |