16-benzoyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione

• ChemBase ID: 193285
• Molecular Formular: C24H15NO3
• Molecular Mass: 365.3808
• Monoisotopic Mass: 365.10519335
• SMILES: c1(c2c3c(n(c1=O)C)cccc3c(=O)c1c2cccc1)C(=O)c1ccccc1
• Canonical SMILES: Cn1c(=O)c(C(=O)c2ccccc2)c2c3c1cccc3c(=O)c1c2cccc1
• InChI: InChI=1S/C24H15NO3/c1-25-18-13-7-12-17-19(18)20(15-10-5-6-11-16(15)23(17)27)21(24(25)28)22(26)14-8-3-2-4-9-14/h2-13H,1H3
• InChIKey: ZWGSMJQVTOURMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-benzoyl-14-methyl-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione
• IUPAC Traditional name: 16-benzoyl-14-methyl-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-8,15-dione

Database IDs

• PubChem SID: 164249195
• PubChem CID: 1602082

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7219963
• LogD (pH = 7.4): 3.7219963
• Log P: 3.7219963
• Molar Refractivity: 116.3567 cm^3
• Polarizability: 40.392033 Å^3
• Polar Surface Area: 54.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds