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-(3-fluorophenyl)acetamide
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-(3-fluorophenyl)acetamide
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-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D483-1632 |
| 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-(3-fluorophenyl)acetamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC(Nc1cccc(c1)F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.9913 |
| logD: | 1.9912 |
| logSw: | -2.6842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.095 |
| InChI Key: | LRRXDIHNXBXJHV-UHFFFAOYSA-N |