3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one

C19H14N2O2S — CID 132575554

IUPAC3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one
SMILESO=C1c2ccccc2N=S(=O)(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-19-17-13-7-8-14-18(17)20-24(23,16-11-5-2-6-12-16)21(19)15-9-3-1-4-10-15/h1-14H
InChIKeyWZHQXFFHVXBNHA-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.42
Rot. Bonds2

About 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one

3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one (PubChem CID 132575554) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one.

Molecular Properties

Compound Name3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one
PubChem CID132575554
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one
SMILESO=C1c2ccccc2N=S(=O)(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-19-17-13-7-8-14-18(17)20-24(23,16-11-5-2-6-12-16)21(19)15-9-3-1-4-10-15/h1-14H
InChIKeyWZHQXFFHVXBNHA-UHFFFAOYSA-N
XLogP4.42
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-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 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one?
The IUPAC name of 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one (CID 132575554) is 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one.
What is the SMILES notation for 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one?
The canonical SMILES for 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one is O=C1c2ccccc2N=S(=O)(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one?
The InChIKey is WZHQXFFHVXBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19-17-13-7-8-14-18(17)20-24(23,16-11-5-2-6-12-16)21(19)15-9-3-1-4-10-15/h1-14H.
What are the key properties of 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one?
3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one has a molecular weight of 334.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3,4-diphenyl-3λ6-thia-2,4-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-5-one is sourced from PubChem (CID 132575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).