4-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1-sulfonamide
Chemical Structure Depiction of
4-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1-sulfonamide
4-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y500-5163 |
| Compound Name: | 4-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1-sulfonamide |
| Molecular Weight: | 481.47 |
| Molecular Formula: | C19 H14 F3 N5 O3 S2 |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)Nc1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2494 |
| logD: | 0.8652 |
| logSw: | -3.7054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.773 |
| InChI Key: | AHVVUYGOVLCLKG-UHFFFAOYSA-N |