2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)propanamide
Chemical Structure Depiction of
2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)propanamide
2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | D483-1598 |
| Compound Name: | 2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)propanamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C24 H26 N6 O3 S |
| Smiles: | CC(C(Nc1ccc(cc1)OC)=O)Sc1nnc(CC2=C(C)N=C3C(C)=CC=CN3C2=O)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2524 |
| logD: | 2.2524 |
| logSw: | -2.7879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.852 |
| InChI Key: | GASZNZWYANIJBN-INIZCTEOSA-N |