3-[(5-{[(8-chloro-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-{[(8-chloro-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-{[(8-chloro-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: | D483-1837 |
| Compound Name: | 3-[(5-{[(8-chloro-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: | 478.96 |
| Molecular Formula: | C23 H19 Cl N6 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC2=CC(c3cccc(c3N2)[Cl])=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4495 |
| logD: | 2.1888 |
| logSw: | -3.5068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.467 |
| InChI Key: | YXPHGTMCMOUMKI-UHFFFAOYSA-N |