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188936-07-4 | (3S,4AS,8aS)-2-((2R)-2-((4S)-4,5-dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl)-2-hydroxyethyl)-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
CAS No: 188936-07-4 Catalog No: AG01E72I MDL No:
Product Description
Catalog Number:
AG01E72I
Chemical Name:
(3S,4AS,8aS)-2-((2R)-2-((4S)-4,5-dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl)-2-hydroxyethyl)-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
CAS Number:
188936-07-4
IUPAC Name:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
InChI:
InChI=1S/C26H39N3O4/c1-16-19(10-7-11-22(16)30)25-27-20(15-33-25)23(31)14-29-13-18-9-6-5-8-17(18)12-21(29)24(32)28-26(2,3)4/h7,10-11,17-18,20-21,23,30-31H,5-6,8-9,12-15H2,1-4H3,(H,28,32)/t17-,18+,20-,21-,23+/m0/s1
InChI Key:
ZRYANTNFGRJTJS-ZEVUWQFRSA-N
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
457.294g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
457.615g/mol
Monoisotopic Mass:
457.294g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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