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132467-74-4 | Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis[4-(diethylamino)-2-ethoxyphenyl]-
CAS No: 132467-74-4 Catalog No: AG0010Q5 MDL No:
Product Description
Catalog Number:
AG0010Q5
Chemical Name:
Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis[4-(diethylamino)-2-ethoxyphenyl]-
CAS Number:
132467-74-4
Molecular Formula:
C31H39N3O4
Molecular Weight:
517.6591
IUPAC Name:
7,7-bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C31H39N3O4/c1-7-33(8-2)22-15-17-25(27(20-22)36-11-5)31(29-24(30(35)38-31)14-13-19-32-29)26-18-16-23(34(9-3)10-4)21-28(26)37-12-6/h13-21H,7-12H2,1-6H3
InChI Key:
SKVLHBJJOXTLKQ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C1(OC(=O)c2c1nccc2)c1ccc(cc1OCC)N(CC)CC)N(CC)CC
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.294g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.67g/mol
Monoisotopic Mass:
517.294g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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