200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 874948-37-5
874948-37-5 | METHANONE, [5-[[5-(4-METHOXYBENZOYL)-1H-PYRROL-2-YL]PHENYLMETHYL]-1H-PYRROL-2-YL](4-METHYLPHENYL)- (9CI)
CAS No: 874948-37-5 Catalog No: AG004DS2 MDL No:
Product Description
Catalog Number:
AG004DS2
Chemical Name:
METHANONE, [5-[[5-(4-METHOXYBENZOYL)-1H-PYRROL-2-YL]PHENYLMETHYL]-1H-PYRROL-2-YL](4-METHYLPHENYL)- (9CI)
CAS Number:
874948-37-5
Molecular Formula:
C31H26N2O3
Molecular Weight:
474.5497
IUPAC Name:
[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-phenylmethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
InChI:
InChI=1S/C31H26N2O3/c1-20-8-10-22(11-9-20)30(34)27-18-16-25(32-27)29(21-6-4-3-5-7-21)26-17-19-28(33-26)31(35)23-12-14-24(36-2)15-13-23/h3-19,29,32-33H,1-2H3
InChI Key:
AHNLUGXNHRUGLO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccc([nH]1)C(c1ccc([nH]1)C(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.194g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.56g/mol
Monoisotopic Mass:
474.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.