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Home > Pyridines > 672951-92-7
672951-92-7 | 2-[(2-methylphenoxy)methyl]-4,6-bis(1H-pyrrol-1-yl)-2H,3H-furo[2,3-b]pyridine-5-carbonitrile
CAS No: 672951-92-7 Catalog No: AG00IYKT MDL No:MFCD01814861
Product Description
Catalog Number:
AG00IYKT
Chemical Name:
2-[(2-methylphenoxy)methyl]-4,6-bis(1H-pyrrol-1-yl)-2H,3H-furo[2,3-b]pyridine-5-carbonitrile
CAS Number:
672951-92-7
Molecular Formula:
C24H20N4O2
Molecular Weight:
396.4412
MDL Number:
MFCD01814861
IUPAC Name:
2-[(2-methylphenoxy)methyl]-4,6-di(pyrrol-1-yl)-2,3-dihydrofuro[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C24H20N4O2/c1-17-8-2-3-9-21(17)29-16-18-14-19-22(27-10-4-5-11-27)20(15-25)23(26-24(19)30-18)28-12-6-7-13-28/h2-13,18H,14,16H2,1H3
InChI Key:
CTJNAOFWUVELIQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(n2cccc2)c2CC(Oc2nc1n1cccc1)COc1ccccc1C
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.45g/mol
Monoisotopic Mass:
396.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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