2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N-[4-(2,6-dimethylpiperidine-1-sulfonyl)phenyl]benzamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N-[4-(2,6-dimethylpiperidine-1-sulfonyl)phenyl]benzamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N-[4-(2,6-dimethylpiperidine-1-sulfonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | 8015-0932 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N-[4-(2,6-dimethylpiperidine-1-sulfonyl)phenyl]benzamide |
| Molecular Weight: | 618.75 |
| Molecular Formula: | C33 H38 N4 O6 S |
| Smiles: | CC1CCCC(C)N1S(c1ccc(cc1)NC(c1ccccc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7369 |
| logD: | 3.5392 |
| logSw: | -3.9255 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.122 |
| InChI Key: | QDENVLGVFNWQBW-UHFFFAOYSA-N |