7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[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-1-yl)ethyl]-8,9-dimethoxy[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-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | C445-0231 |
| Compound Name: | 7-chloro-2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 577.06 |
| Molecular Formula: | C27 H25 Cl N8 O3 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3561 |
| logD: | 2.2391 |
| logSw: | -3.0444 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.539 |
| InChI Key: | ZKRUCMVZUZOJPU-UHFFFAOYSA-N |