methyl 5-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V012-0365 |
| Compound Name: | methyl 5-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C20 H16 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCc1ccc(C(=O)OC)o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8541 |
| logD: | 4.854 |
| logSw: | -4.8723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.005 |
| InChI Key: | QBKNCBQASREIDA-UHFFFAOYSA-N |