7-(4-bromophenyl)-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | C200-6568 |
| Compound Name: | 7-(4-bromophenyl)-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 323.17 |
| Molecular Formula: | C11 H7 Br N4 O S |
| Smiles: | C1=CN(C(C2=NNC(N12)=S)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6143 |
| logD: | -1.4225 |
| logSw: | -2.2101 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.817 |
| InChI Key: | JOYXEMKDFUQNNR-UHFFFAOYSA-N |