2,7-dimethyl-3-[(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2,7-dimethyl-3-[(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2,7-dimethyl-3-[(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1251 |
| Compound Name: | 2,7-dimethyl-3-[(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CC1C=CC2=NC(C)=C(Cc3nnc(n3C)SCCOc3ccccc3C)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7392 |
| logD: | 2.7391 |
| logSw: | -2.8809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.948 |
| InChI Key: | OCAMXAKNHZDJHJ-UHFFFAOYSA-N |