chempirical

Ku-60019

C30H33N3O5SCAS 925701-49-1547.67 g/mol

Open in Covalent MOL file
NOOHNSOONO
AmideEtherSulfideTertiary amine

Properties

Molecular formula
C30H33N3O5S
Molar mass
547.67 g/mol
Exact mass
547.2141 Da
logP
4.25Crippen estimate
Polar surface area
84.3 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
5
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
925701-49-1
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6
InChIKey
SCELLOWTHJGVIC-BGYRXZFFSA-N
InChI
InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+

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Work with Ku-60019

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

Ku-55933587871-26-950 % similar

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

Elsewhere

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