chempirical

Varespladib

C21H20N2O5CAS 172732-68-2380.40 g/mol

Open in Covalent MOL file
ONH2OOOOHN
AmideCarboxylic acidEtherKetone

Properties

Molecular formula
C21H20N2O5
Molar mass
380.40 g/mol
Exact mass
380.1372 Da
Melting point
230–234 °C
logP
2.38Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8

Identifiers

CAS number
172732-68-2
SMILES
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1
InChIKey
BHLXTPHDSZUFHR-UHFFFAOYSA-N
InChI
InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2-[[3-(2-amino-2-oxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]-
  • Acetic acid, [[3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]-
  • 2-[[3-(2-Amino-2-oxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]acetic acid
  • LY 315920
  • [[3-(2-Amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]acetic acid

Work with Varespladib

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

Bendazac20187-55-741 % similar 1,2-Phenylenedioxydiacetic acid5411-14-339 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-937 % similar O-Chlorophenoxyacetic acid614-61-937 % similar Naphthoxyacetic acid2976-75-237 % similar 2-(2,3-Dimethylphenoxy)acetic acid2935-63-935 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-134 % similar 2-(Carboxymethoxy)benzoic acid635-53-034 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook