chempirical

Roflumilast N-oxide

C17H14Cl2F2N2O4CAS 292135-78-5419.21 g/mol

Open in Covalent MOL file
OONNClHOClOFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C17H14Cl2F2N2O4
Molar mass
419.21 g/mol
Exact mass
418.0299 Da
logP
4.16Crippen estimate
Polar surface area
73.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

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
292135-78-5
SMILES
C1CC1COC2=C(C=CC(=C2)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)OC(F)F
InChIKey
KHXXMSARUQULRI-UHFFFAOYSA-N
InChI
InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17,25H,1-2,8H2

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Work with Roflumilast N-oxide

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

Roflumilast162401-32-376 % similar 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid162401-62-956 % similar

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

Elsewhere

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