5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[3-(dimethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[3-(dimethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[3-(dimethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8476 |
| Compound Name: | 5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[3-(dimethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 437.36 |
| Molecular Formula: | C18 H21 Br N4 O2 S |
| Smiles: | CN(C)CCCn1c(c2ccc(COc3ccc(cc3)[Br])o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.5219 |
| logD: | 1.5681 |
| logSw: | -3.4311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.899 |
| InChI Key: | PITQOAXRECFMDX-UHFFFAOYSA-N |