methyl [1-(1,3-benzothiazol-2-yl)-4-{1-[2-chloro-5-(trifluoromethyl)anilino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-{1-[2-chloro-5-(trifluoromethyl)anilino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-{1-[2-chloro-5-(trifluoromethyl)anilino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8013-3049 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-{1-[2-chloro-5-(trifluoromethyl)anilino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 508.91 |
| Molecular Formula: | C22 H16 Cl F3 N4 O3 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)Nc1cc(ccc1[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4003 |
| logD: | 3.9955 |
| logSw: | -6.0204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.955 |
| InChI Key: | CNNLSPRIIREAHI-UHFFFAOYSA-N |