chempirical

Gw4869

C30H30Cl2N6O2CAS 6823-69-4577.51 g/mol

Open in Covalent MOL file
NHNNHOONHNNHHClHCl
AlkeneAmideAmidine

Properties

Molecular formula
C30H30Cl2N6O2
Molar mass
577.51 g/mol
Exact mass
576.1807 Da
logP
4.53Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
8
Double bonds
E, EE/Z, in SMILES 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
6823-69-4
SMILES
C1NC(=NC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl
InChIKey
NSFKAZDTKIKLKT-CLEIDKRQSA-N
InChI
InChI=1S/C30H28N6O2.2ClH/c37-27(35-25-11-7-23(8-12-25)29-31-17-18-32-29)15-5-21-1-2-22(4-3-21)6-16-28(38)36-26-13-9-24(10-14-26)30-33-19-20-34-30;;/h1-16H,17-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38);2*1H/b15-5+,16-6+;;

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Names and synonyms

1 names
  • GW4869 dihydrochloride

Work with Gw4869

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

2-Phenylimidazoline936-49-242 % similar N-(Cinnamoyl)-3-methoxyaniline127033-74-334 % similar Imidocarb27885-92-333 % similar 4-Acetamidocinnamic acid7152-04-733 % similar Imidocarb dipropionate55750-06-632 % similar Clonidine hydrochloride4205-91-831 % similar 4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid60252-79-131 % similar Tolazoline hydrochloride59-97-230 % similar

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

Elsewhere

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