ethyl 4-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V031-3430 |
| Compound Name: | ethyl 4-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 391.87 |
| Molecular Formula: | C18 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccco2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9847 |
| logD: | 3.9847 |
| logSw: | -4.213 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.721 |
| InChI Key: | QONGEOQPEWDKBY-UHFFFAOYSA-N |