methyl 2-({1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-({1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate
methyl 2-({1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | 4778-0010 |
| Compound Name: | methyl 2-({1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate |
| Molecular Weight: | 520.49 |
| Molecular Formula: | C23 H19 F3 N4 O5 S |
| Smiles: | C\C(C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1)=N/c1cc(c(cc1C(=O)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2686 |
| logD: | -1.7296 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.12 |
| InChI Key: | PXFYQTPTWVHADV-UHFFFAOYSA-N |