chempirical

Sc-396658

C27H28N2O3CAS 924416-43-3428.53 g/mol

Open in Covalent MOL file
NNHOOO
AmideEtherKetoneTertiary amine

Properties

Molecular formula
C27H28N2O3
Molar mass
428.53 g/mol
Exact mass
428.2100 Da
logP
4.08Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
924416-43-3
SMILES
C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChIKey
SHHUPGSHGSNPDB-UHFFFAOYSA-N
InChI
InChI=1S/C27H28N2O3/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22/h1-14,24H,15-20H2,(H,28,30)

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Names and synonyms

1 names
  • AdipoRon

Work with Sc-396658

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

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

Elsewhere

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