2-({[2-(4-methylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[2-(4-methylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[2-(4-methylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | F835-0210 |
| Compound Name: | 2-({[2-(4-methylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C21 H16 N6 O2 S |
| Smiles: | Cc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0066 |
| logD: | 3.0037 |
| logSw: | -3.3407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.301 |
| InChI Key: | UHSCCKLJYLZMTH-UHFFFAOYSA-N |