TL;DR: 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide (CAS 1011706-78-7) is a chemical compound with molecular formula C19H25ClN2O3S and molecular weight 396.12744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
Also Known As: 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide, 4-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide, 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
| Molecular Formula | C19H25ClN2O3S |
| Molecular Weight | 396.12744 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.12744 Da |
| Heavy Atoms | 26 |
| Complexity | 629.0 |
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)Cl)N3CCCCS3(=O)=O |
| InChIKey | RSWYDPMMQJVUFB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide. Following Lipinski's Rule of Five, 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is 1011706-78-7.
The molecular formula of 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is C19H25ClN2O3S.
The molecular weight of 4-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is 396.12744 g/mol.
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