methyl 5-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V015-2260 |
| Compound Name: | methyl 5-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7898 |
| logD: | 3.7856 |
| logSw: | -3.6619 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.246 |
| InChI Key: | QIEWXUZWDVSXTP-UHFFFAOYSA-N |