methyl 5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V015-2213 |
| Compound Name: | methyl 5-({[5-benzyl-4-(4-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: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9032 |
| logD: | 4.9032 |
| logSw: | -4.7252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.704 |
| InChI Key: | JSHVJWLMTNGKGK-UHFFFAOYSA-N |