8-(oxan-4-yl)-1-(2-phenylethyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 519372
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCOCC1)CCc1ccccc1)C(C)C
• Canonical SMILES: CC(N1C(=O)N(C2(C1=O)CCN(CC2)C1CCOCC1)CCc1ccccc1)C
• InChI: InChI=1S/C23H33N3O3/c1-18(2)26-21(27)23(11-14-24(15-12-23)20-9-16-29-17-10-20)25(22(26)28)13-8-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3
• InChIKey: VGLNHALKFQCDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(oxan-4-yl)-1-(2-phenylethyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-isopropyl-8-(oxan-4-yl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-isopropyl-1-(2-phenylethyl)-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3778582
• LogD (pH = 7.4): -0.07063472
• Log P: 1.9997883
• Molar Refractivity: 113.3409 cm^3
• Polarizability: 44.08518 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.35
• LOG S: -2.97
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4