4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4603 |
| Compound Name: | 4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 312.27 |
| Molecular Formula: | C12 H7 F3 N4 O S |
| Smiles: | C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)\N |
| Stereo: | ACHIRAL |
| logP: | 1.446 |
| logD: | 1.4458 |
| logSw: | -2.0391 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.739 |
| InChI Key: | BHILJLHEMCRAML-UHFFFAOYSA-N |