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Home > Indoles and Oxindole > 830325-72-9
830325-72-9 | 1H-Indole, 3-[[(2S,4S)-2,5,5-triethyl-3-methyl-4-oxazolidinyl]methyl]-
CAS No: 830325-72-9 Catalog No: AG00535K MDL No:
Product Description
Catalog Number:
AG00535K
Chemical Name:
1H-Indole, 3-[[(2S,4S)-2,5,5-triethyl-3-methyl-4-oxazolidinyl]methyl]-
CAS Number:
830325-72-9
Molecular Formula:
C19H28N2O
Molecular Weight:
300.4384
IUPAC Name:
(2S,4S)-2,5,5-triethyl-4-(1H-indol-3-ylmethyl)-3-methyl-1,3-oxazolidine
InChI:
InChI=1S/C19H28N2O/c1-5-18-21(4)17(19(6-2,7-3)22-18)12-14-13-20-16-11-9-8-10-15(14)16/h8-11,13,17-18,20H,5-7,12H2,1-4H3/t17-,18-/m0/s1
InChI Key:
VTKKZQKAUFCYRX-ROUUACIJSA-N
SMILES:
CC[C@@H]1OC([C@@H](N1C)Cc1c[nH]c2c1cccc2)(CC)CC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
300.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.446g/mol
Monoisotopic Mass:
300.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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