2-[4-(4-acetylbenzene-1-sulfonyl)piperazin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-[4-(4-acetylbenzene-1-sulfonyl)piperazin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]pyridine-3-carboxamide
2-[4-(4-acetylbenzene-1-sulfonyl)piperazin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V015-0912 |
| Compound Name: | 2-[4-(4-acetylbenzene-1-sulfonyl)piperazin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]pyridine-3-carboxamide |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C26 H26 N4 O6 S |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1S(c1ccc(cc1)C(C)=O)(=O)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9056 |
| logD: | 2.9045 |
| logSw: | -3.5096 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.546 |
| InChI Key: | NAJLNQNFGRMENC-UHFFFAOYSA-N |