7-chloro-2-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-chloro-2-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | J084-0191 |
| Compound Name: | 7-chloro-2-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 470.94 |
| Molecular Formula: | C24 H15 Cl N6 O S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.0467 |
| logD: | 4.0413 |
| logSw: | -4.4886 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.816 |
| InChI Key: | URLARRNAKBPTGQ-UHFFFAOYSA-N |