11-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase ID: 227097
• Molecular Formular: C23H24N2O6S
• Molecular Mass: 456.51146
• Monoisotopic Mass: 456.1355075
• SMILES: S(=O)(=O)(N1c2c(cc(C(=O)C3=Cc4c(c5c(cc4CCN3C)OCO5)OC)cc2)CC1)C
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1ccc2c(c1)CCN2S(=O)(=O)C
• InChI: InChI=1S/C23H24N2O6S/c1-24-8-6-14-11-20-23(31-13-30-20)22(29-2)17(14)12-19(24)21(26)16-4-5-18-15(10-16)7-9-25(18)32(3,27)28/h4-5,10-12H,6-9,13H2,1-3H3
• InChIKey: URBTWOKDYJBRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC Traditional name: 11-(1-methanesulfonyl-2,3-dihydroindole-5-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

Database IDs

• PubChem SID: 164283007
• PubChem CID: 71754234

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.6871852
• LogD (pH = 7.4): 1.6922051
• Log P: 1.6922696
• Molar Refractivity: 121.0004 cm^3
• Polarizability: 46.313156 Å^3
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds