3-[4-(Methylsulfonyl)phenyl]-5-(4-piperidyl)-1,2,4-oxadiazole Hydrochloride - CAS 2006277-44-5
Catalog: |
BB015538 |
Product Name: |
3-[4-(Methylsulfonyl)phenyl]-5-(4-piperidyl)-1,2,4-oxadiazole Hydrochloride |
CAS: |
2006277-44-5 |
Synonyms: |
3-(4-methylsulfonylphenyl)-5-(4-piperidinyl)-1,2,4-oxadiazole;hydrochloride; 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride |
IUPAC Name: | 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride |
Description: | 3-[4-(Methylsulfonyl)phenyl]-5-(4-piperidyl)-1,2,4-oxadiazole Hydrochloride (CAS# 2006277-44-5 ) is a useful research chemical. |
Molecular Weight: | 343.83 |
Molecular Formula: | C14H18ClN3O3S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCNCC3.Cl |
InChI: | InChI=1S/C14H17N3O3S.ClH/c1-21(18,19)12-4-2-10(3-5-12)13-16-14(20-17-13)11-6-8-15-9-7-11;/h2-5,11,15H,6-9H2,1H3;1H |
InChI Key: | ZLFGDJVLNIIMFG-UHFFFAOYSA-N |
LogP: | 3.81870 |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.0757403 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.0757403 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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