8-[(2-methoxynaphthalen-1-yl)methyl]-1-(3-methylbutyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 344904
• Molecular Formular: C27H37N3O3
• Molecular Mass: 451.60098
• Monoisotopic Mass: 451.28349206
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c3c(ccc1OC)cccc3)CC2)CCC(C)C)C(C)C
• Canonical SMILES: COc1ccc2c(c1CN1CCC3(CC1)N(CCC(C)C)C(=O)N(C3=O)C(C)C)cccc2
• InChI: InChI=1S/C27H37N3O3/c1-19(2)12-15-29-26(32)30(20(3)4)25(31)27(29)13-16-28(17-14-27)18-23-22-9-7-6-8-21(22)10-11-24(23)33-5/h6-11,19-20H,12-18H2,1-5H3
• InChIKey: LILGLUNCHPCJEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-methoxynaphthalen-1-yl)methyl]-1-(3-methylbutyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-isopropyl-8-[(2-methoxynaphthalen-1-yl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-isopropyl-8-[(2-methoxy-1-naphthyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0298318
• LogD (pH = 7.4): 2.6555882
• Log P: 4.1926646
• Molar Refractivity: 131.446 cm^3
• Polarizability: 52.30964 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: 4.74
• LOG S: -4.51
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4