chempirical

Azd-4547

C26H33N5O3CAS 1035270-39-3463.58 g/mol

Open in Covalent MOL file
NHNONHNNHOO
AmideEtherSecondary amineTertiary amine

Properties

Molecular formula
C26H33N5O3
Molar mass
463.58 g/mol
Exact mass
463.2583 Da
logP
3.65Crippen estimate
Polar surface area
91.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
8
Stereocentres
R, Sin 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
1035270-39-3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC
InChIKey
VRQMAABPASPXMW-HDICACEKSA-N
InChI
InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+

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Work with Azd-4547

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

Danusertib827318-97-831 % similar

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

Elsewhere

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