2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylpropanamide
Chemical Structure Depiction of
2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylpropanamide
2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylpropanamide
Compound characteristics
| Compound ID: | D483-1262 |
| Compound Name: | 2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylpropanamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CC(C(Nc1ccccc1)=O)Sc1nnc(CC2=C(C)N=C3C=CC(C)=CN3C2=O)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0914 |
| logD: | 2.0913 |
| logSw: | -2.7421 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.806 |
| InChI Key: | SGUAGQZXCLPIML-INIZCTEOSA-N |