8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase ID: 224086
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: C1(=Cc2c(c3c(cc2CCN1C)OCO3)OC)C(=O)c1cc2c(cc1)cccc2
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H21NO4/c1-25-10-9-17-12-21-24(29-14-28-21)23(27-2)19(17)13-20(25)22(26)18-8-7-15-5-3-4-6-16(15)11-18/h3-8,11-13H,9-10,14H2,1-2H3
• InChIKey: IECWBBGVEKTQQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC Traditional name: 8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

Database IDs

• PubChem SID: 164279996
• PubChem CID: 49652720

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0365386
• LogD (pH = 7.4): 4.0449343
• Log P: 4.0450425
• Molar Refractivity: 112.5611 cm^3
• Polarizability: 43.677967 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds