5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6159 |
| Compound Name: | 5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1ccc(c2nnc(n2CCCN2CCOCC2)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3359 |
| logD: | 4.0529 |
| logSw: | -4.0524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.653 |
| InChI Key: | JNDDCUZBIGDINN-UHFFFAOYSA-N |