ethyl 4-{[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8016-8829 |
| Compound Name: | ethyl 4-{[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C21 H24 F N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)Nc1ccc(cc1)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9099 |
| logD: | 4.9094 |
| logSw: | -4.5054 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.658 |
| InChI Key: | JLZGMDWNRYNZHX-UHFFFAOYSA-N |