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Home > Indoles and Oxindole > 830325-71-8
830325-71-8 | 1H-Indole, 3-[[(2S,4S)-5,5-diethyl-2,3-dimethyl-4-oxazolidinyl]methyl]-
CAS No: 830325-71-8 Catalog No: AG00535L MDL No:
Product Description
Catalog Number:
AG00535L
Chemical Name:
1H-Indole, 3-[[(2S,4S)-5,5-diethyl-2,3-dimethyl-4-oxazolidinyl]methyl]-
CAS Number:
830325-71-8
Molecular Formula:
C18H26N2O
Molecular Weight:
286.4118
IUPAC Name:
(2S,4S)-5,5-diethyl-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-1,3-oxazolidine
InChI:
InChI=1S/C18H26N2O/c1-5-18(6-2)17(20(4)13(3)21-18)11-14-12-19-16-10-8-7-9-15(14)16/h7-10,12-13,17,19H,5-6,11H2,1-4H3/t13-,17-/m0/s1
InChI Key:
AXNAFTVLMRQOST-GUYCJALGSA-N
SMILES:
CCC1(CC)O[C@H](N([C@H]1Cc1c[nH]c2c1cccc2)C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.419g/mol
Monoisotopic Mass:
286.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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