2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8278 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C23 H18 F3 N5 O S |
| Smiles: | C/C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9045 |
| logD: | 4.8979 |
| logSw: | -4.7306 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.205 |
| InChI Key: | MJYQBUQPFWFNFD-UHFFFAOYSA-N |