Az-5104

C₂₇H₃₁N₇O₂CAS 1421373-98-9485.59 g/mol

Open in Covalent MOL file

Alkene Amide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₇H₃₁N₇O₂
Molar mass: 485.59 g/mol
Exact mass: 485.2539 Da
logP: 4.50Crippen estimate
Polar surface area: 98.4 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 10

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

1421373-98-9

SMILES

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)OC

InChIKey

IQNVEOMHJHBNHC-UHFFFAOYSA-N

InChI

InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)

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Work with Az-5104

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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