8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 575106
• Molecular Formular: C31H35N3O3
• Molecular Mass: 497.6279
• Monoisotopic Mass: 497.267842
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C1Cc3c(C1)cccc3)CC2)CCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C1Cc2c(C1)cccc2)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C31H35N3O3/c1-37-18-6-15-34-30(36)33(22-23-11-12-24-7-2-3-8-25(24)19-23)29(35)31(34)13-16-32(17-14-31)28-20-26-9-4-5-10-27(26)21-28/h2-5,7-12,19,28H,6,13-18,20-22H2,1H3
• InChIKey: ZKMSCYQOGTVZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1H-inden-2-yl)-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): 0.7522113
• LogD (pH = 7.4): 2.15226
• Log P: 4.091809
• Molar Refractivity: 145.6495 cm^3
• Polarizability: 57.360443 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: 4.07
• LOG S: -5.94
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6