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-phenylacetamide
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-phenylacetamide
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-phenylacetamide
Compound characteristics
| Compound ID: | D483-1546 |
| 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-phenylacetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC(Nc1ccccc1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.6462 |
| logD: | 1.6462 |
| logSw: | -2.1853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.095 |
| InChI Key: | ZJFBMMNVVRFJEH-UHFFFAOYSA-N |