chempirical

Aim-100

C23H21N3O2CAS 873305-35-2371.44 g/mol

Open in Covalent MOL file
ONHONN
EtherSecondary amine

Properties

Molecular formula
C23H21N3O2
Molar mass
371.44 g/mol
Exact mass
371.1634 Da
logP
5.15Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
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
873305-35-2
SMILES
C1C[C@H](OC1)CNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChIKey
XNFHHOXCDUAYSR-SFHVURJKSA-N
InChI
InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1

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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

N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine2312-73-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook