(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione

C23H15FN2O3S2 — CID 5452354

IUPAC(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione
SMILESO=c1nc2s/c(=C/c3ccc(-c4ccccc4F)o3)c(=O)n2c2sc3c(c12)CCCC3
InChIInChI=1S/C23H15FN2O3S2/c24-15-7-3-1-5-13(15)16-10-9-12(29-16)11-18-21(28)26-22-19(20(27)25-23(26)31-18)14-6-2-4-8-17(14)30-22/h1,3,5,7,9-11H,2,4,6,8H2/b18-11+
InChIKeyWVHSGWRTZJGADK-WOJGMQOQSA-N
MW450.52 g/mol
LogP4.16
Rot. Bonds2

About (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione

(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione (PubChem CID 5452354) has the molecular formula C23H15FN2O3S2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione.

Molecular Properties

Compound Name(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione
PubChem CID5452354
Molecular FormulaC23H15FN2O3S2
Molecular Weight450.52 g/mol
Exact Mass450.05
IUPAC Name(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione
SMILESO=c1nc2s/c(=C/c3ccc(-c4ccccc4F)o3)c(=O)n2c2sc3c(c12)CCCC3
InChIInChI=1S/C23H15FN2O3S2/c24-15-7-3-1-5-13(15)16-10-9-12(29-16)11-18-21(28)26-22-19(20(27)25-23(26)31-18)14-6-2-4-8-17(14)30-22/h1,3,5,7,9-11H,2,4,6,8H2/b18-11+
InChIKeyWVHSGWRTZJGADK-WOJGMQOQSA-N
XLogP4.16
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione?
The IUPAC name of (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione (CID 5452354) is (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione.
What is the SMILES notation for (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione?
The canonical SMILES for (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione is O=c1nc2s/c(=C/c3ccc(-c4ccccc4F)o3)c(=O)n2c2sc3c(c12)CCCC3.
What is the InChIKey of (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione?
The InChIKey is WVHSGWRTZJGADK-WOJGMQOQSA-N. The full InChI is InChI=1S/C23H15FN2O3S2/c24-15-7-3-1-5-13(15)16-10-9-12(29-16)11-18-21(28)26-22-19(20(27)25-23(26)31-18)14-6-2-4-8-17(14)30-22/h1,3,5,7,9-11H,2,4,6,8H2/b18-11+.
What are the key properties of (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione?
(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione has a molecular weight of 450.52 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-triene-3,8-dione is sourced from PubChem (CID 5452354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).