5-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0027 |
| Compound Name: | 5-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1cccc(c1)c1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 3.3329 |
| logD: | 2.9885 |
| logSw: | -3.6021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.979 |
| InChI Key: | WZIBCBWSCTZQFL-UHFFFAOYSA-N |