8-cyclohexyl-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 483987
• Molecular Formular: C28H37N3O3
• Molecular Mass: 463.61168
• Monoisotopic Mass: 463.28349206
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCCCC1)CCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C1CCCCC1)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C28H37N3O3/c1-34-19-7-16-31-27(33)30(21-22-12-13-23-8-5-6-9-24(23)20-22)26(32)28(31)14-17-29(18-15-28)25-10-3-2-4-11-25/h5-6,8-9,12-13,20,25H,2-4,7,10-11,14-19,21H2,1H3
• InChIKey: AXAFHWWLPZUTOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-cyclohexyl-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-cyclohexyl-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-cyclohexyl-1-(3-methoxypropyl)-3-(2-naphthylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3341117
• LogD (pH = 7.4): 1.3613499
• Log P: 3.7782896
• Molar Refractivity: 134.3163 cm^3
• Polarizability: 53.436405 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.12
• LOG S: -5.13
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6