chempirical

(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone

C22H27NO3SiCAS 149249-91-2381.55 g/mol

Open in Covalent MOL file
SiONOO
AmideLactamSilyl ether

Properties

Molecular formula
C22H27NO3Si
Molar mass
381.55 g/mol
Exact mass
381.1760 Da
logP
4.80Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7
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
149249-91-2
SMILES
CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChIKey
PMFXBVOLZORTNG-VQTJNVASSA-N
InChI
InChI=1S/C22H27NO3Si/c1-4-27(5-2,6-3)26-20-19(17-13-9-7-10-14-17)23(22(20)25)21(24)18-15-11-8-12-16-18/h7-16,19-20H,4-6H2,1-3H3/t19-,20+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone

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

(3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate149198-47-065 % similar (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone201856-53-360 % similar N,N-Diethylbenzamide1696-17-941 % similar 1,1-Dimethylethyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylate201856-57-739 % similar (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-139 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-337 % similar N,N-Bis(1-methylethyl)benzamide20383-28-235 % similar Benzoylpiperidine776-75-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook