3-{[3-(trifluoromethyl)anilino]methyl}-1,3-benzoxazole-2(3H)-thione
Chemical Structure Depiction of
3-{[3-(trifluoromethyl)anilino]methyl}-1,3-benzoxazole-2(3H)-thione
3-{[3-(trifluoromethyl)anilino]methyl}-1,3-benzoxazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8009-8998 |
| Compound Name: | 3-{[3-(trifluoromethyl)anilino]methyl}-1,3-benzoxazole-2(3H)-thione |
| Molecular Weight: | 324.32 |
| Molecular Formula: | C15 H11 F3 N2 O S |
| Smiles: | C(Nc1cccc(c1)C(F)(F)F)N1C(Oc2ccccc12)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6348 |
| logD: | 4.6348 |
| logSw: | -4.6616 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.0345 |
| InChI Key: | NQTQXNJOAOMNCL-UHFFFAOYSA-N |