2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1013 |
| Compound Name: | 2-(methylsulfanyl)-7-[4-(propan-2-yl)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | CC(C)c1ccc(cc1)N1C=CC2=C(C=Nc3nc(nn23)SC)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4298 |
| logD: | 3.4298 |
| logSw: | -3.6549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.085 |
| InChI Key: | AROOPDPMABUCKQ-UHFFFAOYSA-N |