3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
Compound ID: | V030-0321 |
Compound Name: | 3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
Molecular Weight: | 461.56 |
Molecular Formula: | C25 H24 F N5 O S |
Salt: | not_available |
Smiles: | CCCN(C)C(c1cccc(CSc2nnc(c3ccncc3)n2c2ccc(cc2)F)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.8289 |
logD: | 3.8289 |
logSw: | -3.7055 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.541 |
InChI Key: | LFXKWUKXFJMNKV-UHFFFAOYSA-N |