N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloro-N-[(3-cyanophenyl)methyl]benzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloro-N-[(3-cyanophenyl)methyl]benzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloro-N-[(3-cyanophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D614-0594 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloro-N-[(3-cyanophenyl)methyl]benzamide |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C25 H23 Cl N6 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1cccc(c1)[Cl])=O)C([H])([H])c1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2118 |
| logD: | 5.0357 |
| logSw: | -5.5751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.857 |
| InChI Key: | XYBUQMLSRYZFRJ-UHFFFAOYSA-N |