2-chloro-N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
2-chloro-N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Compound characteristics
| Compound ID: | D614-0166 |
| Compound Name: | 2-chloro-N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide |
| Molecular Weight: | 432.87 |
| Molecular Formula: | C22 H17 Cl N6 O2 |
| Smiles: | [H]C([H])(c1ccc(C#N)cc1)N(C(c1ccccc1[Cl])=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5895 |
| logD: | 3.2092 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.857 |
| InChI Key: | UVLOOWUXPUAIMV-UHFFFAOYSA-N |