200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 120014-07-5
120014-07-5 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-
CAS No: 120014-07-5 Catalog No: AG000Q3M MDL No:MFCD09751240
Product Description
Catalog Number:
AG000Q3M
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-
CAS Number:
120014-07-5
Molecular Formula:
C24H27NO3
Molecular Weight:
377.4761
MDL Number:
MFCD09751240
IUPAC Name:
(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
InChI:
InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
InChI Key:
LPMOTUSFDTTWJL-UDWIEESQSA-N
SMILES:
COc1cc2c(cc1OC)CC(=CC1CCN(CC1)Cc1ccccc1)C2=O
EC Number:
601-652-4
UNII:
1D3K90DIY3
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
377.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.484g/mol
Monoisotopic Mass:
377.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.