methyl 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
Compound ID: | V010-1449 |
Compound Name: | methyl 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
Molecular Weight: | 419.5 |
Molecular Formula: | C23 H21 N3 O3 S |
Salt: | not_available |
Smiles: | Cc1cccc(c1)n1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)o1 |
Stereo: | ACHIRAL |
logP: | 4.9475 |
logD: | 4.9475 |
logSw: | -4.8011 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.704 |
InChI Key: | HNAXZHVABOJBPG-UHFFFAOYSA-N |