N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazine-1-sulfonyl)benzamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8015-4322 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazine-1-sulfonyl)benzamide |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)c1ccccc1)(=O)=O)C(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4251 |
| logD: | 2.7424 |
| logSw: | -3.8107 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.405 |
| InChI Key: | KTICTAUNKBERCI-UHFFFAOYSA-N |