2,4,6-Trimethyl-N-(4-oxocyclohexyl)-N-propyl-benzenesulfonamide - CAS 1026083-70-4
Catalog: |
BB056859 |
Product Name: |
2,4,6-Trimethyl-N-(4-oxocyclohexyl)-N-propyl-benzenesulfonamide |
CAS: |
1026083-70-4 |
Synonyms: |
2,4,6-Trimethyl-N-(4-oxocyclohexyl)-N-propylbenzenesulfonamide; 2,4,6-Trimethyl-N-(4-oxocyclohexyl)-N-propyl-benzenesulfonamide |
IUPAC Name: | 2,4,6-trimethyl-N-(4-oxocyclohexyl)-N-propylbenzenesulfonamide |
Description: | Used in the preparation of agonists for Dopamine D3 Receptor. |
Molecular Weight: | 337.48 |
Molecular Formula: | C18H27NO3S |
Canonical SMILES: | CCCN(C1CCC(=O)CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C |
InChI: | InChI=1S/C18H27NO3S/c1-5-10-19(16-6-8-17(20)9-7-16)23(21,22)18-14(3)11-13(2)12-15(18)4/h11-12,16H,5-10H2,1-4H3 |
InChI Key: | MFERLHNNDQGDCW-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate |
Appearance: | White Solid |
References: | Biswas, S. et al.; J. Med. Chem. 51, 3005 (2008). |
Complexity: | 489 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.1711649 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.1711649 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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