3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 700163
• Molecular Formular: C29H35N3O3
• Molecular Mass: 473.6065
• Monoisotopic Mass: 473.267842
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C1Cc3c(CC1)cccc3)CC2)CCOC)C1Cc2c(C1)cccc2
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C1CCc2c(C1)cccc2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C29H35N3O3/c1-35-17-16-31-28(34)32(26-19-23-8-4-5-9-24(23)20-26)27(33)29(31)12-14-30(15-13-29)25-11-10-21-6-2-3-7-22(21)18-25/h2-9,25-26H,10-20H2,1H3
• InChIKey: UHVBCYUINOUVDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(1,2,3,4-tetrahydro-2-naphthalenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.48356986
• LogD (pH = 7.4): 1.7479892
• Log P: 3.875258
• Molar Refractivity: 136.6697 cm^3
• Polarizability: 52.791744 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.48
• LOG S: -5.81
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4