3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
Compound ID: | V030-0377 |
Compound Name: | 3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
Molecular Weight: | 498.53 |
Molecular Formula: | C25 H21 F3 N4 O2 S |
Salt: | not_available |
Smiles: | C=CCn1c(c2ccco2)nnc1SCc1cccc(c1)C(NCc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.9028 |
logD: | 4.9027 |
logSw: | -4.9201 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.211 |
InChI Key: | FEQJJXTZHJOGOH-UHFFFAOYSA-N |