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Home > Indoles and Oxindole > 1616469-10-3
1616469-10-3 | 3,3,4-trimethyl-1-(1-(2-morpholinoethyl)-1H-indol-3-yl)pent-4-en-1-one
CAS No: 1616469-10-3 Catalog No: AG01EPBH MDL No:
Product Description
Catalog Number:
AG01EPBH
Chemical Name:
3,3,4-trimethyl-1-(1-(2-morpholinoethyl)-1H-indol-3-yl)pent-4-en-1-one
CAS Number:
1616469-10-3
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
IUPAC Name:
3,3,4-trimethyl-1-[1-(2-morpholin-4-ylethyl)indol-3-yl]pent-4-en-1-one
InChI:
InChI=1S/C22H30N2O2/c1-17(2)22(3,4)15-21(25)19-16-24(20-8-6-5-7-18(19)20)10-9-23-11-13-26-14-12-23/h5-8,16H,1,9-15H2,2-4H3
InChI Key:
LORODOQLOVWDSW-UHFFFAOYSA-N
SMILES:
CC(=C)C(CC(=O)c1cn(c2c1cccc2)CCN1CCOCC1)(C)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.231g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.494g/mol
Monoisotopic Mass:
354.231g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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