2,9-dimethyl-3-[(4-methyl-5-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2,9-dimethyl-3-[(4-methyl-5-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2,9-dimethyl-3-[(4-methyl-5-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1653 |
| Compound Name: | 2,9-dimethyl-3-[(4-methyl-5-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C25 H24 N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC1=CC(c3cccc(C)c3N1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.3464 |
| logD: | 2.3384 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.488 |
| InChI Key: | CRNYIGMBDOMLDT-UHFFFAOYSA-N |