N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
Chemical Structure Depiction of
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | D614-0165 |
| Compound Name: | N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C22 H17 F N6 O2 |
| Smiles: | [H]C([H])(c1ccc(C#N)cc1)N(C(c1ccccc1F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3111 |
| logD: | 2.9308 |
| logSw: | -3.7185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.857 |
| InChI Key: | PTNAXFSORYNKGS-UHFFFAOYSA-N |