2-methyl-3-[(4-methyl-5-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-methyl-3-[(4-methyl-5-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-methyl-3-[(4-methyl-5-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1741 |
| Compound Name: | 2-methyl-3-[(4-methyl-5-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCCOc2ccc(C)cc2)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4475 |
| logD: | 2.4475 |
| logSw: | -2.5619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.342 |
| InChI Key: | NQYXNBMZFUZEAM-UHFFFAOYSA-N |