2-cyclopropyl-4-phenyl-9-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 595245
• Molecular Formular: C26H32N2O
• Molecular Mass: 388.54508
• Monoisotopic Mass: 388.25146365
• SMILES: N1(C(=O)C(CC2(C1)CCN(CCc1ccccc1)CC2)c1ccccc1)C1CC1
• Canonical SMILES: O=C1N(CC2(CC1c1ccccc1)CCN(CC2)CCc1ccccc1)C1CC1
• InChI: InChI=1S/C26H32N2O/c29-25-24(22-9-5-2-6-10-22)19-26(20-28(25)23-11-12-23)14-17-27(18-15-26)16-13-21-7-3-1-4-8-21/h1-10,23-24H,11-20H2
• InChIKey: WVUGFDQJCDUFHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-4-phenyl-9-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-4-phenyl-9-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-4-phenyl-9-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8799044
• LogD (pH = 7.4): 2.256643
• Log P: 4.2302017
• Molar Refractivity: 118.3985 cm^3
• Polarizability: 46.217926 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.46
• LOG S: -5.84
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5