3-[(5-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]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-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(5-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]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: | D483-1662 |
| Compound Name: | 3-[(5-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.99 |
| Molecular Formula: | C24 H21 Cl N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC1=CC(c3cc(ccc3N1)[Cl])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.0694 |
| logD: | 2.8463 |
| logSw: | -3.6095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.74 |
| InChI Key: | BZVXLZJGNOWMMB-UHFFFAOYSA-N |