N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | D614-0559 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C26 H26 N6 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccc(C)cc1)=O)C([H])([H])c1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1364 |
| logD: | 4.9603 |
| logSw: | -4.8739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.857 |
| InChI Key: | VDUTXRRWTZJTKP-UHFFFAOYSA-N |