10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-14,16,18-triene

• ChemBase ID: 183662
• Molecular Formular: C18H24N2
• Molecular Mass: 268.39656
• Monoisotopic Mass: 268.19394878
• SMILES: N12C(C3Nc4c(C3CC2)cccc4)C2C(C1)CCCC2
• Canonical SMILES: C1CCC2C(C1)CN1C2C2Nc3c(C2CC1)cccc3
• InChI: InChI=1S/C18H24N2/c1-2-6-13-12(5-1)11-20-10-9-15-14-7-3-4-8-16(14)19-17(15)18(13)20/h3-4,7-8,12-13,15,17-19H,1-2,5-6,9-11H2
• InChIKey: LKHAUIVLOLWBIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10,20-diazapentacyclo[11.7.0.0^2,^1^0.0^3,^8.0^1^4,^1^9]icosa-14,16,18-triene
• IUPAC Traditional name: 10,20-diazapentacyclo[11.7.0.0^2,^1^0.0^3,^8.0^1^4,^1^9]icosa-14,16,18-triene

Database IDs

• PubChem SID: 164239572
• PubChem CID: 4593312

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.42290747
• LogD (pH = 7.4): -0.29879418
• Log P: 3.0766857
• Molar Refractivity: 83.5449 cm^3
• Polarizability: 32.128494 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds