3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 380004
• Molecular Formular: C28H37N3O3
• Molecular Mass: 463.61168
• Monoisotopic Mass: 463.28349206
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCCc1ccccc1)CC(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1C(=O)N(C2(C1=O)CCN(CC2)CCCc1ccccc1)CC(C)C
• InChI: InChI=1S/C28H37N3O3/c1-22(2)20-31-27(33)30(21-24-11-13-25(34-3)14-12-24)26(32)28(31)15-18-29(19-16-28)17-7-10-23-8-5-4-6-9-23/h4-6,8-9,11-14,22H,7,10,15-21H2,1-3H3
• InChIKey: NCHVPJIUYYILHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-isobutyl-3-(4-methoxybenzyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1808518
• LogD (pH = 7.4): 2.579971
• Log P: 4.520893
• Molar Refractivity: 135.119 cm^3
• Polarizability: 52.47335 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.49
• LOG S: -4.97
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7