TL;DR: 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone (CAS 1241685-05-1) is a chemical compound with molecular formula C20H29N3O3S and molecular weight 391.19296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
Also Known As: 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone, 2-(azepan-1-yl)-1-[4-(2-phenylethenesulfonyl)piperazin-1-yl]ethan-1-one
| Molecular Formula | C20H29N3O3S |
| Molecular Weight | 391.19296 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.19296 Da |
| Heavy Atoms | 27 |
| Complexity | 592.0 |
| SMILES | C1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | WGFOOLALWRSMMS-LICLKQGHSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone is 1241685-05-1.
The molecular formula of 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone is C20H29N3O3S.
The molecular weight of 2-(azepan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone is 391.19296 g/mol.
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