silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C21H26AgN4O4S2+ — CID 165360900

IUPACsilver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN1C(=O)C(=CC=CC=CC2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S.[Ag+]
InChIInChI=1S/C21H26N4O4S2.Ag/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29;/h9-14H,5-8H2,1-4H3;/q;+1
InChIKeyLGQQRDVCOUPANX-UHFFFAOYSA-N
MW570.47 g/mol
LogP1.63
Rot. Bonds7

About silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 165360900) has the molecular formula C21H26AgN4O4S2+ and a molecular weight of 570.47 g/mol. Its IUPAC name is silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Namesilver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID165360900
Molecular FormulaC21H26AgN4O4S2+
Molecular Weight570.47 g/mol
Exact Mass569.04
IUPAC Namesilver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN1C(=O)C(=CC=CC=CC2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S.[Ag+]
InChIInChI=1S/C21H26N4O4S2.Ag/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29;/h9-14H,5-8H2,1-4H3;/q;+1
InChIKeyLGQQRDVCOUPANX-UHFFFAOYSA-N
XLogP1.63
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 165360900) is silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is CCN1C(=O)C(=CC=CC=CC2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S.[Ag+].
What is the InChIKey of silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is LGQQRDVCOUPANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2.Ag/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29;/h9-14H,5-8H2,1-4H3;/q;+1.
What are the key properties of silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 570.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 165360900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).