ethyl 4-[3-butanamido-4-(4-methylbenzene-1-sulfonyl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-butanamido-4-(4-methylbenzene-1-sulfonyl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-butanamido-4-(4-methylbenzene-1-sulfonyl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K786-7587 |
| Compound Name: | ethyl 4-[3-butanamido-4-(4-methylbenzene-1-sulfonyl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Smiles: | CCCC(Nc1cc(ccc1S(c1ccc(C)cc1)(=O)=O)C(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1438 |
| logD: | 3.1437 |
| logSw: | -3.4503 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.619 |
| InChI Key: | RGVASHBFJLENAO-UHFFFAOYSA-N |