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
2-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
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: | J084-0044 |
| Compound Name: | 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: | 436.49 |
| Molecular Formula: | C24 H16 N6 O S |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.8516 |
| logD: | 3.8462 |
| logSw: | -4.221 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.297 |
| InChI Key: | YHIGGHIIWAWLQH-UHFFFAOYSA-N |