2-(methylsulfanyl)-7-(4-nitrophenyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-7-(4-nitrophenyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
2-(methylsulfanyl)-7-(4-nitrophenyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-8439 |
| Compound Name: | 2-(methylsulfanyl)-7-(4-nitrophenyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C15 H10 N6 O3 S |
| Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3ccc(cc3)[N+]([O-])=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0173 |
| logD: | 2.0173 |
| logSw: | -2.5012 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.466 |
| InChI Key: | OQGZSLWIWLPQQH-UHFFFAOYSA-N |