2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3950 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 415.39 |
| Molecular Formula: | C20 H12 F3 N3 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1csc(C(=C/Nc2cccc(c2)C(F)(F)F)\C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8431 |
| logD: | 5.8431 |
| logSw: | -6.3498 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.473 |
| InChI Key: | HQAAYJWSJFPELO-UHFFFAOYSA-N |