8-methoxy-10-(5-methoxy-2-methyl-1H-indole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase ID: 224140
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: C1(=CN(CCc2c1c(c1c(c2)OCO1)OC)C)C(=O)c1c([nH]c2c1cc(cc2)OC)C
• Canonical SMILES: COc1c2c(CCN(C=C2C(=O)c2c(C)[nH]c3c2cc(OC)cc3)C)cc2c1OCO2
• InChI: InChI=1S/C24H24N2O5/c1-13-20(16-10-15(28-3)5-6-18(16)25-13)22(27)17-11-26(2)8-7-14-9-19-23(31-12-30-19)24(29-4)21(14)17/h5-6,9-11,25H,7-8,12H2,1-4H3
• InChIKey: LRNRFBCAXFYJKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-10-(5-methoxy-2-methyl-1H-indole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC Traditional name: 8-methoxy-10-(5-methoxy-2-methyl-1H-indole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

Database IDs

• PubChem SID: 164280050
• PubChem CID: 51052127

CALCULATED PROPERTIES

• Acid pKa: 13.773492
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.9307027
• LogD (pH = 7.4): 3.184981
• Log P: 3.1894119
• Molar Refractivity: 117.5042 cm^3
• Polarizability: 45.64757 Å^3
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds