N-[(3-methoxyphenyl)methyl]-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
N-[(3-methoxyphenyl)methyl]-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | D584-0490 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C26 H27 N5 O3 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(NCc2cccc(c2)OC)=O)C(n2c1nc(c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1086 |
| logD: | 4.1086 |
| logSw: | -4.3616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.476 |
| InChI Key: | FDBKBOULDXVAHC-UHFFFAOYSA-N |