9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-2-one

• ChemBase ID: 128737
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c12cccnc1OCC1CCCN1C2=O
• Canonical SMILES: O=C1N2CCCC2COc2c1cccn2
• InChI: InChI=1S/C11H12N2O2/c14-11-9-4-1-5-12-10(9)15-7-8-3-2-6-13(8)11/h1,4-5,8H,2-3,6-7H2
• InChIKey: FIKUEZUFASUKAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-oxa-3,11-diazatricyclo[8.4.0.0^3,^7]tetradeca-1(14),10,12-trien-2-one
• IUPAC Traditional name: 9-oxa-3,11-diazatricyclo[8.4.0.0^3,^7]tetradeca-1(14),10,12-trien-2-one
• Synonyms: Org 26576

Database IDs

• PubChem SID: 162223043
• PubChem CID: 13584911
• Wikipedia Title: Org_26576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7843352
• LogD (pH = 7.4): 0.784391
• Log P: 0.7843917
• Molar Refractivity: 54.7918 cm^3
• Polarizability: 20.722618 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Investigational New Medicine