{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G802-0992 |
| Compound Name: | {[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 362.2 |
| Molecular Formula: | C13 H8 Br N5 O S |
| Smiles: | C(C#N)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1583 |
| logD: | 1.1583 |
| logSw: | -2.1038 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.466 |
| InChI Key: | MQZQLZIJPCCAGC-UHFFFAOYSA-N |