(azepan-1-yl)[3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanethione
Chemical Structure Depiction of
(azepan-1-yl)[3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanethione
(azepan-1-yl)[3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanethione
Compound characteristics
| Compound ID: | 4349-0032 |
| Compound Name: | (azepan-1-yl)[3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanethione |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C21 H20 F3 N3 S |
| Smiles: | C1CCCN(CC1)C(n1c(cc(c2ccc3ccccc3c2)n1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0704 |
| logD: | 6.0704 |
| logSw: | -7.0518 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 12.4613 |
| InChI Key: | ZEMDIYLAQMCDEW-UHFFFAOYSA-N |