5,12-dimethyl-6,13-dioxa-4,11-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,11-pentaene-7,14-dione

• ChemBase ID: 202234
• Molecular Formular: C12H8N2O4
• Molecular Mass: 244.20292
• Monoisotopic Mass: 244.04840675
• SMILES: c12c(=O)oc(nc1cc1c(=O)oc(nc1c2)C)C
• Canonical SMILES: Cc1nc2cc3c(=O)oc(nc3cc2c(=O)o1)C
• InChI: InChI=1S/C12H8N2O4/c1-5-13-9-3-8-10(4-7(9)11(15)17-5)14-6(2)18-12(8)16/h3-4H,1-2H3
• InChIKey: MNHSAWSMVMHWPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,12-dimethyl-6,13-dioxa-4,11-diazatricyclo[8.4.0.0^3,^8]tetradeca-1,3(8),4,9,11-pentaene-7,14-dione
• IUPAC Traditional name: 5,12-dimethyl-6,13-dioxa-4,11-diazatricyclo[8.4.0.0^3,^8]tetradeca-1,3(8),4,9,11-pentaene-7,14-dione

Database IDs

• PubChem SID: 164258144
• PubChem CID: 540721

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0319563
• LogD (pH = 7.4): 1.0319564
• Log P: 1.0319564
• Molar Refractivity: 64.8222 cm^3
• Polarizability: 22.90328 Å^3
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds