methyl 5-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V011-1288 |
| Compound Name: | methyl 5-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C21 H15 Cl2 N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4694 |
| logD: | 5.4694 |
| logSw: | -5.7865 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.427 |
| InChI Key: | YNDRLMLFSGGQOD-UHFFFAOYSA-N |