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

• ChemBase ID: 487057
• Molecular Formular: C28H36N4O3
• Molecular Mass: 476.61044
• Monoisotopic Mass: 476.27874103
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(N(CCC2)C)cc1)CCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)CCCN2C)C
• InChI: InChI=1S/C28H36N4O3/c1-29-15-4-5-23-19-22(8-11-25(23)29)20-31-17-13-28(14-18-31)26(33)30(2)27(34)32(28)16-12-21-6-9-24(35-3)10-7-21/h6-11,19H,4-5,12-18,20H2,1-3H3
• InChIKey: HYBDVWOZFJBRRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-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: 5
• H Donor: 0
• LogD (pH = 5.5): 0.27815017
• LogD (pH = 7.4): 1.952639
• Log P: 3.4245222
• Molar Refractivity: 139.113 cm^3
• Polarizability: 52.87794 Å^3
• Polar Surface Area: 56.33 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: 3.67
• LOG S: -4.89
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 5