chempirical

Vesatolimod

C22H30N6O2CAS 1228585-88-3410.52 g/mol

Open in Covalent MOL file
ONNNONHNNH2
AmideEtherLactamPrimary amineTertiary amine

Properties

Molecular formula
C22H30N6O2
Molar mass
410.52 g/mol
Exact mass
410.2430 Da
logP
2.79Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
8

Identifiers

CAS number
1228585-88-3
SMILES
CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)N
InChIKey
VFOKSTCIRGDTBR-UHFFFAOYSA-N
InChI
InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)

Weigh it out

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

Names and synonyms

1 names
  • Gs9620

Work with Vesatolimod

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

Roxatidine acetate78628-28-133 % similar Roxatidine acetate hydrochloride93793-83-032 % similar Roxatidine78273-80-032 % similar Dyclonine586-60-731 % similar Oxybuprocaine hydrochloride5987-82-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook