1-(5-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene-11-carbonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

• ChemBase ID: 226771
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: C1(=Cc2c(c3c(cc2CCN1C)OCO3)OC)C(=O)c1cc2c(N(C(=O)C)CC2)cc1
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1ccc2c(c1)CCN2C(=O)C
• InChI: InChI=1S/C24H24N2O5/c1-14(27)26-9-7-16-10-17(4-5-19(16)26)22(28)20-12-18-15(6-8-25(20)2)11-21-24(23(18)29-3)31-13-30-21/h4-5,10-12H,6-9,13H2,1-3H3
• InChIKey: ODRSPMJSBZLZTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene-11-carbonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(5-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene-11-carbonyl}-2,3-dihydroindol-1-yl)ethanone

Database IDs

• PubChem SID: 164282681
• PubChem CID: 71753923

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1929219
• LogD (pH = 7.4): 2.1971762
• Log P: 2.1972308
• Molar Refractivity: 117.3994 cm^3
• Polarizability: 44.01188 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds