3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 320867
• Molecular Formular: C29H36N4O2
• Molecular Mass: 472.62174
• Monoisotopic Mass: 472.28382641
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(N(CCC2)C)cc1)CC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)CCCN2C)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C29H36N4O2/c1-3-32-28(35)33(25-18-22-7-4-5-8-23(22)19-25)27(34)29(32)12-15-31(16-13-29)20-21-10-11-26-24(17-21)9-6-14-30(26)2/h4-5,7-8,10-11,17,25H,3,6,9,12-16,18-20H2,1-2H3
• InChIKey: UQMOFWOMQBGXJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8922849
• LogD (pH = 7.4): 2.566774
• Log P: 4.0386567
• Molar Refractivity: 140.3782 cm^3
• Polarizability: 53.315758 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.08
• LOG S: -6.29
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 3