6-(2-methylprop-2-en-1-yl)-5-[(2-methylprop-2-en-1-yl)oxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

• ChemBase ID: 218693
• Molecular Formular: C26H22N2O2
• Molecular Mass: 394.46508
• Monoisotopic Mass: 394.16812795
• SMILES: n12c(=O)c3c(c4c1c(c1c2ccc(c1CC(=C)C)OCC(=C)C)ccn4)cccc3
• Canonical SMILES: CC(=C)COc1ccc2c(c1CC(=C)C)c1ccnc3c1n2c(=O)c1c3cccc1
• InChI: InChI=1S/C26H22N2O2/c1-15(2)13-20-22(30-14-16(3)4)10-9-21-23(20)19-11-12-27-24-17-7-5-6-8-18(17)26(29)28(21)25(19)24/h5-12H,1,3,13-14H2,2,4H3
• InChIKey: MEDIWWXRPNJYND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methylprop-2-en-1-yl)-5-[(2-methylprop-2-en-1-yl)oxy]-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
• IUPAC Traditional name: 6-(2-methylprop-2-en-1-yl)-5-[(2-methylprop-2-en-1-yl)oxy]-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

Database IDs

• PubChem SID: 164274603
• PubChem CID: 16408645

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.262989
• LogD (pH = 7.4): 5.265862
• Log P: 5.2658987
• Molar Refractivity: 118.4395 cm^3
• Polarizability: 49.38698 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds