N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazine-1-sulfonyl)benzamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8015-1431 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazine-1-sulfonyl)benzamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CN1CCN(CC1)S(c1cc(ccc1OC)C(Nc1cc2c(cc1C#N)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6078 |
| logD: | 0.9252 |
| logSw: | -2.6975 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.621 |
| InChI Key: | GLPPRTNFCZUEJU-UHFFFAOYSA-N |