copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one

C20H24CuN2O2S — CID 5379835

IUPACcopper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/C20H24N2O2S.Cu/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;
InChIKeyFLNFPTJKMOPFHT-OWILEKGLSA-N
MW420.04 g/mol
LogP2.83
Rot. Bonds10

About copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one

copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5379835) has the molecular formula C20H24CuN2O2S and a molecular weight of 420.04 g/mol. Its IUPAC name is copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecopper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID5379835
Molecular FormulaC20H24CuN2O2S
Molecular Weight420.04 g/mol
Exact Mass419.09
IUPAC Namecopper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/C20H24N2O2S.Cu/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;
InChIKeyFLNFPTJKMOPFHT-OWILEKGLSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.04
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 5379835) is copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Cu].
What is the InChIKey of copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is FLNFPTJKMOPFHT-OWILEKGLSA-N. The full InChI is InChI=1S/C20H24N2O2S.Cu/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;.
What are the key properties of copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 420.04 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5379835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).