(2-chlorophenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(2-chlorophenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
(2-chlorophenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
Compound ID: | D116-0350 |
Compound Name: | (2-chlorophenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone |
Molecular Weight: | 407.83 |
Molecular Formula: | C21 H15 Cl F N5 O |
Smiles: | C(c1ccc(cc1)F)Nc1nc(c2cccnc2)nn1C(c1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.3087 |
logD: | 3.1593 |
logSw: | -3.9337 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.745 |
InChI Key: | LYJBHPWRZDLBIX-UHFFFAOYSA-N |