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Home > Pyridines > 105357-17-3
105357-17-3 | Propanamide, 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:1)
CAS No: 105357-17-3 Catalog No: AG001FE2 MDL No:
Product Description
Catalog Number:
AG001FE2
Chemical Name:
Propanamide, 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:1)
CAS Number:
105357-17-3
Molecular Formula:
C25H37ClN2O2S
Molecular Weight:
465.0915
IUPAC Name:
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide;hydrochloride
InChI:
InChI=1S/C25H36N2O2S.ClH/c1-24(2,3)20-16-19(17-21(23(20)29)25(4,5)6)30-15-12-22(28)27(7)14-11-18-10-8-9-13-26-18;/h8-10,13,16-17,29H,11-12,14-15H2,1-7H3;1H
InChI Key:
MCQQQXHGLCUPHW-UHFFFAOYSA-N
SMILES:
O=C(N(CCc1ccccn1)C)CCSc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.Cl
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.226g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.093g/mol
Monoisotopic Mass:
464.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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