ethyl 4-[(4'-carbamoyl[1,4'-bipiperidine]-1'-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(4'-carbamoyl[1,4'-bipiperidine]-1'-carbothioyl)amino]benzoate
ethyl 4-[(4'-carbamoyl[1,4'-bipiperidine]-1'-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 4777-0524 |
| Compound Name: | ethyl 4-[(4'-carbamoyl[1,4'-bipiperidine]-1'-carbothioyl)amino]benzoate |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)(C(N)=O)N1CCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.318 |
| logD: | 2.5066 |
| logSw: | -3.5699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.026 |
| InChI Key: | RGCLMSHSTOWZPE-UHFFFAOYSA-N |