3-[(5-{[(6-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(5-{[(6-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(5-{[(6-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1841 |
| Compound Name: | 3-[(5-{[(6-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC2=CC(c3cc(ccc3N2)OC)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2129 |
| logD: | 2.2032 |
| logSw: | -3.0758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.263 |
| InChI Key: | XCSKBEOAPRSQQW-UHFFFAOYSA-N |