ethyl 1-(1,3-benzothiazol-2-yl)-5-(4-{[3-(dimethylamino)propyl]amino}-2,3,5,6-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(1,3-benzothiazol-2-yl)-5-(4-{[3-(dimethylamino)propyl]amino}-2,3,5,6-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
ethyl 1-(1,3-benzothiazol-2-yl)-5-(4-{[3-(dimethylamino)propyl]amino}-2,3,5,6-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8016-0476 |
| Compound Name: | ethyl 1-(1,3-benzothiazol-2-yl)-5-(4-{[3-(dimethylamino)propyl]amino}-2,3,5,6-tetrafluorophenyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 521.54 |
| Molecular Formula: | C24 H23 F4 N5 O2 S |
| Smiles: | CCOC(c1cnn(c1c1c(c(c(c(c1F)F)NCCCN(C)C)F)F)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7377 |
| logD: | 3.9504 |
| logSw: | -5.3036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.168 |
| InChI Key: | AYEWEKAZWGXTBL-UHFFFAOYSA-N |