1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | D628-0104 |
| Compound Name: | 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1774 |
| logD: | 3.1773 |
| logSw: | -3.2133 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.521 |
| InChI Key: | YLXXHXWZJRCPBE-NRFANRHFSA-N |