2-{[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | C445-0115 |
| Compound Name: | 2-{[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C27 H22 N6 O3 S |
| Smiles: | CC1=CC=CC2=NC(CSc3nc4cc(c(cc4c4nc(c5ccccc5)nn34)OC)OC)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1227 |
| logD: | 4.1163 |
| logSw: | -4.3916 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.709 |
| InChI Key: | KGSMKHKICGITBQ-UHFFFAOYSA-N |