chempirical

Az 876

C24H29N3O3SCAS 898800-26-5439.57 g/mol

Open in Covalent MOL file
NOSOONHN
AlkeneAmideLactamSecondary amineSulfonamideTertiary amine

Properties

Molecular formula
C24H29N3O3S
Molar mass
439.57 g/mol
Exact mass
439.1930 Da
logP
4.43Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

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
898800-26-5
SMILES
CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCCC4
InChIKey
IVANYIPLGFVBGR-UHFFFAOYSA-N
InChI
InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3

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Work with Az 876

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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