methyl 14-cyclohexyl-6,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene-6-carboxylate

• ChemBase ID: 186436
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: c12n3c4c(c1CCCC2N(C(=O)OC)CCC3)cc(cc4)C1CCCCC1
• Canonical SMILES: COC(=O)N1CCCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1
• InChI: InChI=1S/C23H30N2O2/c1-27-23(26)25-14-6-13-24-20-12-11-17(16-7-3-2-4-8-16)15-19(20)18-9-5-10-21(25)22(18)24/h11-12,15-16,21H,2-10,13-14H2,1H3
• InChIKey: WCXASEZTVLKGBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 14-cyclohexyl-6,10-diazatetracyclo[8.6.1.0^5,^1^7.0^1^1,^1^6]heptadeca-1(17),11,13,15-tetraene-6-carboxylate
• IUPAC Traditional name: methyl 14-cyclohexyl-6,10-diazatetracyclo[8.6.1.0^5,^1^7.0^1^1,^1^6]heptadeca-1(17),11,13,15-tetraene-6-carboxylate

Database IDs

• PubChem SID: 164242346
• PubChem CID: 3701257

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9954844
• LogD (pH = 7.4): 4.9954844
• Log P: 4.9954844
• Molar Refractivity: 107.626 cm^3
• Polarizability: 42.72174 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds