2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-4395 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 476.48 |
| Molecular Formula: | C22 H19 F3 N4 O3 S |
| Smiles: | COc1ccc(CC/N=C/C2C(C(F)(F)F)=NN(C2=O)c2nc3ccccc3s2)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9824 |
| logD: | 2.8071 |
| logSw: | -4.1893 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.985 |
| InChI Key: | OGMYRHCLMRWJQJ-SVLFYUKMSA-N |