chempirical

7,7-Bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-B]pyridin-5(7H)-one

C31H39N3O4CAS 132467-74-4517.67 g/mol

Open in Covalent MOL file
ONNOOON
EsterEtherLactoneTertiary amine

Properties

Molecular formula
C31H39N3O4
Molar mass
517.67 g/mol
Exact mass
517.2941 Da
logP
6.03Crippen estimate
Polar surface area
64.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
12

Identifiers

CAS number
132467-74-4
SMILES
CCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(CC)CC)cc2OCC)OC(=O)c2cccnc21
InChIKey
SKVLHBJJOXTLKQ-UHFFFAOYSA-N
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

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Names and synonyms

6 names
  • Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis[4-(diethylamino)-2-ethoxyphenyl]-
  • 3,3-Bi(4-diethylamino-2-ethoxyphenyl)-4-azaphthalide
  • 3,3-Bis(4-diethylamino-2-ethoxyphenyl)-4-azaphthalide
  • 3,3-Bis(2-ethoxy-4-diethylaminophenyl)-4-azaphthalide
  • GN 2
  • Mitsui GN 2

Work with 7,7-Bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-B]pyridin-5(7H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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