TL;DR: [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone (CAS 1011653-84-1) is a chemical compound with molecular formula C17H24ClN3O3S and molecular weight 385.12268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone
Also Known As: [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone|(4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)(4-ethylpiperazin-1-yl)methanone|[4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl](4-ethylpiperazin-1-yl)methanone|STK634532
| Molecular Formula | C17H24ClN3O3S |
| Molecular Weight | 385.12268 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.12268 Da |
| Heavy Atoms | 25 |
| Complexity | 572.0 |
| SMILES | CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)N3CCCCS3(=O)=O |
| InChIKey | PSWRROWUHDBKKS-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone 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 [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone is 1011653-84-1.
The molecular formula of [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone is C17H24ClN3O3S.
The molecular weight of [4-chloro-3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-ethylpiperazin-1-yl)methanone is 385.12268 g/mol.
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