5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

C24H14N2O6S — CID 57395463

IUPAC5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCc1c(C(=O)c2ccccc2)oc2cc3occ(C=C4C(=O)NC(=S)NC4=O)c(=O)c3cc12
InChIInChI=1S/C24H14N2O6S/c1-11-14-8-15-17(9-18(14)32-21(11)20(28)12-5-3-2-4-6-12)31-10-13(19(15)27)7-16-22(29)25-24(33)26-23(16)30/h2-10H,1H3,(H2,25,26,29,30,33)
InChIKeyFGRGOBRSWHKCKP-UHFFFAOYSA-N
MW458.45 g/mol
LogP2.99
Rot. Bonds3

About 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 57395463) has the molecular formula C24H14N2O6S and a molecular weight of 458.45 g/mol. Its IUPAC name is 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID57395463
Molecular FormulaC24H14N2O6S
Molecular Weight458.45 g/mol
Exact Mass458.06
IUPAC Name5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCc1c(C(=O)c2ccccc2)oc2cc3occ(C=C4C(=O)NC(=S)NC4=O)c(=O)c3cc12
InChIInChI=1S/C24H14N2O6S/c1-11-14-8-15-17(9-18(14)32-21(11)20(28)12-5-3-2-4-6-12)31-10-13(19(15)27)7-16-22(29)25-24(33)26-23(16)30/h2-10H,1H3,(H2,25,26,29,30,33)
InChIKeyFGRGOBRSWHKCKP-UHFFFAOYSA-N
XLogP2.99
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 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 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 57395463) is 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is Cc1c(C(=O)c2ccccc2)oc2cc3occ(C=C4C(=O)NC(=S)NC4=O)c(=O)c3cc12.
What is the InChIKey of 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is FGRGOBRSWHKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O6S/c1-11-14-8-15-17(9-18(14)32-21(11)20(28)12-5-3-2-4-6-12)31-10-13(19(15)27)7-16-22(29)25-24(33)26-23(16)30/h2-10H,1H3,(H2,25,26,29,30,33).
What are the key properties of 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 458.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 57395463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).