2-ethoxy-9-methyl-9-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

• ChemBase ID: 127312
• Molecular Formular: C17H17NO2
• Molecular Mass: 267.32238
• Monoisotopic Mass: 267.12592879
• SMILES: O=C1c2c(cccc2)C(OCC)c2c(cccc2)N1C
• Canonical SMILES: CCOC1c2ccccc2C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3
• InChIKey: BLGFGFHRMMDRPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-9-methyl-9-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
• IUPAC Traditional name: etazepine
• Synonyms: Etazepine

Database IDs

• CAS Number: 88124-27-0
• PubChem SID: 162221633
• PubChem CID: 65662
• Chemspider ID: 59097
• Unique Ingredient Identifier: SBC76K7XWC
• Wikipedia Title: Etazepine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9727757
• LogD (pH = 7.4): 2.9727757
• Log P: 2.9727757
• Molar Refractivity: 79.2479 cm^3
• Polarizability: 30.255278 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true