chempirical

Gw9508

C22H21NO3CAS 885101-89-3347.41 g/mol

Open in Covalent MOL file
ONHOHO
Carboxylic acidEtherSecondary amine

Properties

Molecular formula
C22H21NO3
Molar mass
347.41 g/mol
Exact mass
347.1521 Da
logP
5.11Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

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
885101-89-3
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O
InChIKey
DGENZVKCTGIDRZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)

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Work with Gw9508

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

3-Phenoxyphenylacetic acid32852-81-659 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-953 % similar Phenylpropanoic acid501-52-052 % similar 3-(Trifluoromethoxy)hydrocinnamic acid168833-77-051 % similar 4-Phenoxyphenylacetic acid6328-74-149 % similar 3-(3-Methylphenyl)propionic acid3751-48-247 % similar 1,4-Benzenedipropanoic acid4251-21-245 % similar 3-(3-Aminophenyl)propionic acid1664-54-645 % similar

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

Elsewhere

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