N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | D717-0178 |
Compound Name: | N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 445.88 |
Molecular Formula: | C20 H14 Cl F2 N5 O S |
Smiles: | Cc1cc(C(F)F)n2c(n1)nc(C(Nc1ccccc1Sc1ccc(cc1)[Cl])=O)n2 |
Stereo: | ACHIRAL |
logP: | 4.3743 |
logD: | 4.3743 |
logSw: | -4.6191 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.981 |
InChI Key: | ZTKXVTXTJAIIBD-UHFFFAOYSA-N |