5-{5-[(2,4-dichlorophenoxy)methyl]furan-2-yl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(2,4-dichlorophenoxy)methyl]furan-2-yl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(2,4-dichlorophenoxy)methyl]furan-2-yl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-3925 |
| Compound Name: | 5-{5-[(2,4-dichlorophenoxy)methyl]furan-2-yl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 455.4 |
| Molecular Formula: | C20 H24 Cl2 N4 O2 S |
| Smiles: | CCN(CC)CCCn1c(c2ccc(COc3ccc(cc3[Cl])[Cl])o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.6927 |
| logD: | 2.4337 |
| logSw: | -4.7278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.531 |
| InChI Key: | LKUHUHXLJCGCBT-UHFFFAOYSA-N |