N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Compound characteristics
Compound ID: | C592-3448 |
Compound Name: | N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide |
Molecular Weight: | 467.54 |
Molecular Formula: | C22 H18 F N5 O2 S2 |
Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O)NC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 3.3362 |
logD: | 3.3362 |
logSw: | -3.6809 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.541 |
InChI Key: | NHIWKUHEGUKXOO-UHFFFAOYSA-N |