methyl 5-({[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-2704 |
| Compound Name: | methyl 5-({[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | CCn1c(c2c[nH]c3ccccc23)nnc1SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0192 |
| logD: | 4.0192 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.852 |
| InChI Key: | XZUNTPSMGIESMC-UHFFFAOYSA-N |