2-(1,3-benzothiazol-2-yl)-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8014-2291 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C23 H18 F3 N5 O S |
| Smiles: | Cc1c(CCN/C=C2\C(C(F)(F)F)=NN(C2=O)c2nc3ccccc3s2)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.347 |
| logD: | 4.3468 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.849 |
| InChI Key: | GPYBCHQVUFQVBM-UHFFFAOYSA-N |