2-(1,3-benzothiazol-2-yl)-4-({[(thiophen-2-yl)methyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[(thiophen-2-yl)methyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[(thiophen-2-yl)methyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3685 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[(thiophen-2-yl)methyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 408.42 |
| Molecular Formula: | C17 H11 F3 N4 O S2 |
| Smiles: | C(c1cccs1)/N=C/C1C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0322 |
| logD: | 2.5557 |
| logSw: | -4.3198 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.901 |
| InChI Key: | LNZKMAKLQPPYHY-CPOBKIPGSA-N |