chempirical

E6446 Dihydrochloride

C27H37Cl2N3O3CAS 1345675-25-3522.51 g/mol

Open in Covalent MOL file
NONOONHClHCl
EtherTertiary amine

Properties

Molecular formula
C27H37Cl2N3O3
Molar mass
522.51 g/mol
Exact mass
521.2212 Da
logP
6.07Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
1345675-25-3
SMILES
C1CCN(C1)CCCOC2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)OCCCN5CCCC5.Cl.Cl
InChIKey
DQOUZINBHKWGGM-UHFFFAOYSA-N
InChI
InChI=1S/C27H35N3O3.2ClH/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30;;/h7-12,21H,1-6,13-20H2;2*1H

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Names and synonyms

1 names
  • E6446 (Dihydrochloride)

Work with E6446 Dihydrochloride

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

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

Elsewhere

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