5-{2-[(2,4-difluorophenoxy)methyl]phenyl}-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{2-[(2,4-difluorophenoxy)methyl]phenyl}-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
5-{2-[(2,4-difluorophenoxy)methyl]phenyl}-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6077 |
| Compound Name: | 5-{2-[(2,4-difluorophenoxy)methyl]phenyl}-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C25 H17 F2 N3 O S |
| Smiles: | C(c1ccccc1c1nnc(n1c1cccc2ccccc12)S)Oc1ccc(cc1F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7869 |
| logD: | 4.7109 |
| logSw: | -7.1819 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1994 |
| InChI Key: | MSCFFEWSHXSLTQ-UHFFFAOYSA-N |