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304698-49-5 | Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis(1-butyl-2-methyl-1H-indol-3-yl)-
CAS No: 304698-49-5 Catalog No: AG00308I MDL No:
Product Description
Catalog Number:
AG00308I
Chemical Name:
Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis(1-butyl-2-methyl-1H-indol-3-yl)-
CAS Number:
304698-49-5
Molecular Formula:
C33H35N3O2
Molecular Weight:
505.6499
IUPAC Name:
7,7-bis(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C33H35N3O2/c1-5-7-20-35-22(3)29(24-14-9-11-17-27(24)35)33(31-26(32(37)38-33)16-13-19-34-31)30-23(4)36(21-8-6-2)28-18-12-10-15-25(28)30/h9-19H,5-8,20-21H2,1-4H3
InChI Key:
IFICWKLGQIUNEX-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1nccc2)c1c(C)n(c2c1cccc2)CCCC
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.273g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.662g/mol
Monoisotopic Mass:
505.273g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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