N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
Compound characteristics
Compound ID: | C592-3425 |
Compound Name: | N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide |
Molecular Weight: | 491.54 |
Molecular Formula: | C25 H22 F N5 O3 S |
Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O)NC(COc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.3646 |
logD: | 3.3645 |
logSw: | -3.6701 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.809 |
InChI Key: | JAUYJOHIOLJATF-UHFFFAOYSA-N |