chempirical

Ccg-203971

C23H21ClN2O3CAS 1443437-74-8408.88 g/mol

Open in Covalent MOL file
NOOOHNCl
AmideAryl halide

Properties

Molecular formula
C23H21ClN2O3
Molar mass
408.88 g/mol
Exact mass
408.1241 Da
logP
5.09Crippen estimate
Polar surface area
62.6 Ų
H-bond donors / acceptors
1 / 3
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
1443437-74-8
SMILES
C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)Cl
InChIKey
HERLZBNILRVHQN-UHFFFAOYSA-N
InChI
InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)

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Work with Ccg-203971

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

Ccg-1423285986-88-131 % similar 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-131 % similar (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-431 % similar 3-(Pyrrolidine-1-carbonyl)phenylboronic acid723281-53-630 % similar

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

Elsewhere

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