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

• ChemBase ID: 477358
• Molecular Formular: C26H35N3O3
• Molecular Mass: 437.5744
• Monoisotopic Mass: 437.267842
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC1CC=CCC1)CCOC)C1Cc2c(C1)cccc2
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CC1CCC=CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C26H35N3O3/c1-32-16-15-28-25(31)29(23-17-21-9-5-6-10-22(21)18-23)24(30)26(28)11-13-27(14-12-26)19-20-7-3-2-4-8-20/h2-3,5-6,9-10,20,23H,4,7-8,11-19H2,1H3
• InChIKey: ADNDFONNIIQBMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclohex-3-en-1-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(cyclohex-3-en-1-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(3-cyclohexen-1-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.38616782
• LogD (pH = 7.4): 0.5530155
• Log P: 3.070261
• Molar Refractivity: 126.5829 cm^3
• Polarizability: 48.635612 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.2
• LOG S: -4.79
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5