7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K280-0547 |
| Compound Name: | 7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 517.01 |
| Molecular Formula: | C25 H21 Cl N8 O S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5502 |
| logD: | 2.9775 |
| logSw: | -4.0673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.208 |
| InChI Key: | GYUPVOOHKYWYNG-UHFFFAOYSA-N |