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

• ChemBase ID: 316423
• Molecular Formular: C28H37N3O2
• Molecular Mass: 447.61228
• Monoisotopic Mass: 447.28857744
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C1C3CC4CC1CC(C3)C4)CC2)CC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)C1C2CC3CC1CC(C2)C3)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C28H37N3O2/c1-2-30-27(33)31(24-16-20-5-3-4-6-21(20)17-24)26(32)28(30)7-9-29(10-8-28)25-22-12-18-11-19(14-22)15-23(25)13-18/h3-6,18-19,22-25H,2,7-17H2,1H3
• InChIKey: CWFOZJMLNXFTNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(adamantan-2-yl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(adamantan-2-yl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2-adamantyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40750915
• LogD (pH = 7.4): 0.88948125
• Log P: 3.8974853
• Molar Refractivity: 128.8766 cm^3
• Polarizability: 50.41125 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.86
• LOG S: -5.74
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2