10'-methoxy-6,6-dimethyl-4'-(naphthalen-2-yl)-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.02,6]tridecane]-1'(9'),4',10',12'-tetraene

• ChemBase ID: 191904
• Molecular Formular: C27H28N2O3
• Molecular Mass: 428.52282
• Monoisotopic Mass: 428.20999277
• SMILES: N12C3(Oc4c(C2CC(=N1)c1cc2c(cc1)cccc2)cccc4OC)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C27H28N2O3/c1-26(2)17-27(13-14-31-26)29-23(21-9-6-10-24(30-3)25(21)32-27)16-22(28-29)20-12-11-18-7-4-5-8-19(18)15-20/h4-12,15,23H,13-14,16-17H2,1-3H3
• InChIKey: OMDXLDUEOJWXPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10'-methoxy-6,6-dimethyl-4'-(naphthalen-2-yl)-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene
• IUPAC Traditional name: 10'-methoxy-6,6-dimethyl-4'-(naphthalen-2-yl)-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene

Database IDs

• PubChem SID: 164247814
• PubChem CID: 3695650

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.215697
• LogD (pH = 7.4): 5.2174606
• Log P: 5.217483
• Molar Refractivity: 123.3223 cm^3
• Polarizability: 49.709427 Å^3
• Polar Surface Area: 43.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds