8-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 343144
• Molecular Formular: C29H34N4O3
• Molecular Mass: 486.60526
• Monoisotopic Mass: 486.26309097
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c3c(ccc1OC)cccc3)CC2)CC(C)C)Cc1ncccc1
• Canonical SMILES: COc1ccc2c(c1CN1CCC3(CC1)C(=O)N(C(=O)N3CC(C)C)Cc1ccccn1)cccc2
• InChI: InChI=1S/C29H34N4O3/c1-21(2)18-33-28(35)32(19-23-9-6-7-15-30-23)27(34)29(33)13-16-31(17-14-29)20-25-24-10-5-4-8-22(24)11-12-26(25)36-3/h4-12,15,21H,13-14,16-20H2,1-3H3
• InChIKey: UVOOWRNLRDBAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-isobutyl-8-[(2-methoxy-1-naphthyl)methyl]-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.46102223
• LogD (pH = 7.4): 2.1036434
• Log P: 3.6409392
• Molar Refractivity: 139.5341 cm^3
• Polarizability: 55.47509 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.65
• LOG S: -4.51
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 5