7,16-dihydro-5,6a,12,15-tetraazapentaphene-7,16-dione

• ChemBase ID: 185547
• Molecular Formular: C18H10N4O2
• Molecular Mass: 314.2976
• Monoisotopic Mass: 314.08037558
• SMILES: c12n3c(nc4c(c3=O)cccc4)ccn1c(=O)c1c(n2)cccc1
• Canonical SMILES: O=c1c2ccccc2nc2n1c1nc3ccccc3c(=O)n1cc2
• InChI: InChI=1S/C18H10N4O2/c23-16-11-5-1-4-8-14(11)20-18-21(16)10-9-15-19-13-7-3-2-6-12(13)17(24)22(15)18/h1-10H
• InChIKey: FGRPFJJTAYSEHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,16-dihydro-5,6a,12,15-tetraazapentaphene-7,16-dione
• IUPAC Traditional name: 5,6a,12,15-tetraazapentaphene-7,16-dione

Database IDs

• PubChem SID: 164241457
• PubChem CID: 779307

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7521193
• LogD (pH = 7.4): 2.752166
• Log P: 2.7521667
• Molar Refractivity: 91.8173 cm^3
• Polarizability: 31.950996 Å^3
• Polar Surface Area: 65.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds