2-(1,3-benzothiazol-2-yl)-4-({[(pyridin-3-yl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[(pyridin-3-yl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[(pyridin-3-yl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-0450 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[(pyridin-3-yl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 403.38 |
| Molecular Formula: | C18 H12 F3 N5 O S |
| Smiles: | C(c1cccnc1)/N=C/C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0673 |
| logD: | -1.9898 |
| logSw: | -2.99 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.106 |
| InChI Key: | ALMNXFVOOZCMLA-UHFFFAOYSA-N |