2-({[2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | F835-0342 |
| Compound Name: | 2-({[2-(3,4-dimethoxyphenyl)-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: | 462.49 |
| Molecular Formula: | C22 H18 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0838 |
| logD: | 2.0809 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.562 |
| InChI Key: | VECGMCGEQOMGCJ-UHFFFAOYSA-N |