chempirical

Azd8186

C24H25F2N3O4CAS 1627494-13-6457.48 g/mol

Open in Covalent MOL file
OONOONNHFF
AmideAryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C24H25F2N3O4
Molar mass
457.48 g/mol
Exact mass
457.1813 Da
logP
3.78Crippen estimate
Polar surface area
75.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

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
1627494-13-6
SMILES
C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F
InChIKey
LMJFJIDLEAWOQJ-CQSZACIVSA-N
InChI
InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1

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Work with Azd8186

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

Ly294002154447-36-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook