2-{3-[2-(3-methylthiophen-2-yl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
Chemical Structure Depiction of
2-{3-[2-(3-methylthiophen-2-yl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
2-{3-[2-(3-methylthiophen-2-yl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
Compound characteristics
| Compound ID: | 6043-0017 |
| Compound Name: | 2-{3-[2-(3-methylthiophen-2-yl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C21 H17 N3 O S |
| Smiles: | Cc1ccsc1/C=C/c1nc(c2ccccc2O)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6276 |
| logD: | 5.444 |
| logSw: | -5.4265 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.175 |
| InChI Key: | AOJRCRXAEFZHMR-UHFFFAOYSA-N |