3-[(5-{[2-(4-chlorophenoxy)ethyl]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-(4-chlorophenoxy)ethyl]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-(4-chlorophenoxy)ethyl]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: | D483-1578 |
| Compound Name: | 3-[(5-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCCOc1ccc(cc1)[Cl])C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.9099 |
| logD: | 2.9099 |
| logSw: | -3.3675 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.363 |
| InChI Key: | PWZWXRZWDTVAGO-UHFFFAOYSA-N |