N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide
N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V026-3054 |
| Compound Name: | N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C23 H23 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(CN1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.033 |
| logD: | 2.8568 |
| logSw: | -3.402 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.188 |
| InChI Key: | QQHMLPAZQXLDIS-UHFFFAOYSA-N |