N-(2,4-dimethylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(2,4-dimethylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0185 |
| Compound Name: | N-(2,4-dimethylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | CC1=C(CCC(Nc2ccc(C)cc2C)=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2114 |
| logD: | 3.1682 |
| logSw: | -3.1831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.09 |
| InChI Key: | QGMCTPALGYODDZ-UHFFFAOYSA-N |