2,9-dimethyl-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
2,9-dimethyl-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
2,9-dimethyl-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: | D483-1572 |
| Compound Name: | 2,9-dimethyl-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: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCCOc1ccc(C)cc1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.7386 |
| logD: | 2.7386 |
| logSw: | -2.8819 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.363 |
| InChI Key: | QBCSKSIQYBXGLM-UHFFFAOYSA-N |