16-(benzylamino)-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: 192901
• Molecular Formular: C24H18N2O2
• Molecular Mass: 366.41192
• Monoisotopic Mass: 366.13682783
• SMILES: c12c(c(=O)n(c3c1c(c(=O)c1c2cccc1)ccc3)C)NCc1ccccc1
• Canonical SMILES: Cn1c(=O)c(NCc2ccccc2)c2c3c1cccc3c(=O)c1c2cccc1
• InChI: InChI=1S/C24H18N2O2/c1-26-19-13-7-12-18-20(19)21(16-10-5-6-11-17(16)23(18)27)22(24(26)28)25-14-15-8-3-2-4-9-15/h2-13,25H,14H2,1H3
• InChIKey: GNGIUVRUQIWHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-(benzylamino)-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-(benzylamino)-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: 164248811
• PubChem CID: 1427255

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6535525
• LogD (pH = 7.4): 3.6535623
• Log P: 3.6535625
• Molar Refractivity: 119.4774 cm^3
• Polarizability: 41.486973 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds