3-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1541 |
| Compound Name: | 3-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C25 H26 N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC(N1CCCc3ccccc13)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.272 |
| logD: | 2.2719 |
| logSw: | -2.4215 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.002 |
| InChI Key: | LINZETXOSFSSSG-UHFFFAOYSA-N |