7-(4-bromophenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0982 |
| Compound Name: | 7-(4-bromophenyl)-3-{[2-(2,5-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)c(c1)C(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.689 |
| logD: | 3.689 |
| logSw: | -3.8493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | HQKPQPIRYGGICG-UHFFFAOYSA-N |