4'-(3-methoxyphenyl)-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.02,6]tridecane]-1'(9'),4',10',12'-tetraene

• ChemBase ID: 192619
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: N12C3(Oc4c(C2CC(=N1)c1cc(OC)ccc1)cccc4)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
• InChI: InChI=1S/C23H26N2O3/c1-22(2)15-23(11-12-27-22)25-20(18-9-4-5-10-21(18)28-23)14-19(24-25)16-7-6-8-17(13-16)26-3/h4-10,13,20H,11-12,14-15H2,1-3H3
• InChIKey: HZGKIKCZPCBRSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4'-(3-methoxyphenyl)-6,6-dimethyl-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: 4'-(3-methoxyphenyl)-6,6-dimethyl-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: 164248529
• PubChem CID: 4366241

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.2268586
• LogD (pH = 7.4): 4.227992
• Log P: 4.2280064
• Molar Refractivity: 106.8721 cm^3
• Polarizability: 42.173992 Å^3
• Polar Surface Area: 43.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds