N-[(3-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-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
N-[(3-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: | D614-0190 |
Compound Name: | N-[(3-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])(c1cccc(C#N)c1)N(C(c1ccccc1F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.2312 |
logD: | 2.8509 |
logSw: | -3.6687 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.857 |
InChI Key: | HLOSTHFEVKMDCR-UHFFFAOYSA-N |