N-(3-chloro-4-methylphenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
N-(3-chloro-4-methylphenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Compound characteristics
| Compound ID: | D527-0341 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide |
| Molecular Weight: | 461.95 |
| Molecular Formula: | C25 H24 Cl N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(Nc2ccc(C)c(c2)[Cl])=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3482 |
| logD: | 5.3469 |
| logSw: | -5.8836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.61 |
| InChI Key: | RHOPMQFVFXYBBO-UHFFFAOYSA-N |