2,2,3,3-tetrafluoropropyl 4-{2-[(2,3-dimethylphenyl)imino]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-4-yl}benzene-1-sulfonate
Chemical Structure Depiction of
2,2,3,3-tetrafluoropropyl 4-{2-[(2,3-dimethylphenyl)imino]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-4-yl}benzene-1-sulfonate
2,2,3,3-tetrafluoropropyl 4-{2-[(2,3-dimethylphenyl)imino]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-4-yl}benzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-5949 |
| Compound Name: | 2,2,3,3-tetrafluoropropyl 4-{2-[(2,3-dimethylphenyl)imino]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-4-yl}benzene-1-sulfonate |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C25 H28 F4 N4 O3 S2 |
| Smiles: | [H]C(C(COS(c1ccc(cc1)C1=CSC(=N/c2cccc(C)c2C)\N1N1CCN(C)CC1)(=O)=O)(F)F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.9091 |
| logD: | 4.4422 |
| logSw: | -4.6093 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.476 |
| InChI Key: | GRPUUNKGIHUINA-UHFFFAOYSA-N |