2,2,3,3-tetrafluoropropyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
Chemical Structure Depiction of
2,2,3,3-tetrafluoropropyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
2,2,3,3-tetrafluoropropyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
Compound characteristics
| Compound ID: | 5540-0038 |
| Compound Name: | 2,2,3,3-tetrafluoropropyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3-dimethyl-5-oxopentanoate |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C19 H22 F4 N2 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CC(C)(C)CC(=O)OCC(C(F)F)(F)F)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4614 |
| logD: | 4.4613 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.807 |
| InChI Key: | JNHCXORZIRTCBM-UHFFFAOYSA-N |