2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-indol-3-yl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-indol-3-yl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-indol-3-yl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3686 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-indol-3-yl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C22 H16 F3 N5 O S |
| Smiles: | C(C/N=C/C1C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)c1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5661 |
| logD: | 3.3908 |
| logSw: | -4.3973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.595 |
| InChI Key: | ZRXOMABEDWDRJR-ZXGJNYTGSA-N |