chempirical

Lotamilast

C26H24N4O5CAS 947620-48-6472.50 g/mol

Open in Covalent MOL file
HNNNNHOOOOO
AmideEsterEtherSecondary amine

Properties

Molecular formula
C26H24N4O5
Molar mass
472.50 g/mol
Exact mass
472.1747 Da
logP
4.39Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7

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
947620-48-6
SMILES
CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC
InChIKey
BBTFKAOFCSOZMB-UHFFFAOYSA-N
InChI
InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)

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Names and synonyms

1 names
  • E6005

Work with Lotamilast

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

PubChem CAS Common Chemistry NIST WebBook