2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-butylacetamide
Chemical Structure Depiction of
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-butylacetamide
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-butylacetamide
Compound characteristics
| Compound ID: | D584-0201 |
| Compound Name: | 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-butylacetamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(NCCCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2527 |
| logD: | 4.2527 |
| logSw: | -4.111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.796 |
| InChI Key: | MAVAIQATUCUYFE-UHFFFAOYSA-N |