7-[4-(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-[4-(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-[4-(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | C200-6714 |
| Compound Name: | 7-[4-(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)N1C=CN2C(C1=O)=NNC2=S |
| Stereo: | ACHIRAL |
| logP: | 2.1186 |
| logD: | -0.9182 |
| logSw: | -2.7571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.817 |
| InChI Key: | UTSGNVIBPJVDKU-UHFFFAOYSA-N |