2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
Compound characteristics
Compound ID: | V009-8028 |
Compound Name: | 2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide |
Molecular Weight: | 556.47 |
Molecular Formula: | C25 H16 Cl2 F N5 O S2 |
Salt: | not_available |
Smiles: | C(c1nc(cs1)C(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccccc2[Cl])n1c1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 6.83 |
logD: | 6.8295 |
logSw: | -6.3957 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.305 |
InChI Key: | ICOYLDWILQUKIL-UHFFFAOYSA-N |