(5s,7s)-5,7-diethyl-2-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 186452
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)c1ccccc1)C2)CC)CC
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccccc1)CC
• InChI: InChI=1S/C18H24N2O/c1-3-17-10-19-12-18(4-2,16(17)21)13-20(11-17)15(19)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15?,17-,18+
• InChIKey: ZFGICBIPGQQHGH-ZNXRZULTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-5,7-diethyl-2-phenyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1r,5R,7S)-5,7-diethyl-2-phenyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164242362
• PubChem CID: 847287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6861732
• LogD (pH = 7.4): 3.7430773
• Log P: 3.8048787
• Molar Refractivity: 84.2126 cm^3
• Polarizability: 33.37828 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds