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141625-94-7 | Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[2-(dibutylamino)ethoxy]phenyl]-
CAS No: 141625-94-7 Catalog No: AG001GPW MDL No:
Product Description
Catalog Number:
AG001GPW
Chemical Name:
Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[2-(dibutylamino)ethoxy]phenyl]-
CAS Number:
141625-94-7
Molecular Formula:
C29H40N2O3
Molecular Weight:
464.6395
IUPAC Name:
(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[2-(dibutylamino)propoxy]phenyl]methanone;oxalic acid
InChI:
InChI=1S/C30H42N2O3.C2H2O4/c1-5-8-11-28-29(26-20-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-22(4)32(18-9-6-2)19-10-7-3;3-1(4)2(5)6/h12-17,20,22H,5-11,18-19,21,31H2,1-4H3;(H,3,4)(H,5,6)
InChI Key:
FYLKYJHRPCMEQE-UHFFFAOYSA-N
SMILES:
CCCCN(CCOc1ccc(cc1)C(=O)c1c(CCCC)oc2c1cc(N)cc2)CCCC
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.315g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
568.711g/mol
Monoisotopic Mass:
568.315g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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