N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxo-1-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxo-1-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-2-fluorobenzamide
N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxo-1-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-2-fluorobenzamide
Compound characteristics
| Compound ID: | V026-3991 |
| Compound Name: | N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxo-1-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-2-fluorobenzamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C22 H23 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(C(c1ccccc1)N1C=CSC/1=N/C(c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3078 |
| logD: | 0.8236 |
| logSw: | -3.0565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.389 |
| InChI Key: | PABQXQRKIVXREL-LJQANCHMSA-N |