2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-9580 |
| Compound Name: | 2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C17 H16 N6 O S |
| Smiles: | CC(C)c1ccc(cc1)N1C=CC2=C(C1=O)N=Nc1nc(nn12)SC |
| Stereo: | ACHIRAL |
| logP: | 4.0714 |
| logD: | 4.0714 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.83 |
| InChI Key: | FVORGIPCQNHTPU-UHFFFAOYSA-N |