N-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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: | D584-0441 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-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: | 461.95 |
| Molecular Formula: | C25 H24 Cl N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(Nc2ccc(C)c(c2)[Cl])=O)C(n2c1nc(c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7391 |
| logD: | 5.7389 |
| logSw: | -5.9791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.61 |
| InChI Key: | KVBGZGHNDULIPX-UHFFFAOYSA-N |