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

• ChemBase ID: 794530
• Molecular Formular: C29H37N3O3
• Molecular Mass: 475.62238
• Monoisotopic Mass: 475.28349206
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C1Cc3c(C1)cccc3)CC2)CCC(C)C)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CN1C(=O)N(C2(C1=O)CCN(CC2)C1Cc2c(C1)cccc2)CCC(C)C
• InChI: InChI=1S/C29H37N3O3/c1-21(2)11-14-32-28(34)31(20-22-7-6-10-26(17-22)35-3)27(33)29(32)12-15-30(16-13-29)25-18-23-8-4-5-9-24(23)19-25/h4-10,17,21,25H,11-16,18-20H2,1-3H3
• InChIKey: NFUWQLDGZIWJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1H-inden-2-yl)-3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1H-inden-2-yl)-3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1H-inden-2-yl)-3-(3-methoxybenzyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2029971
• LogD (pH = 7.4): 2.603046
• Log P: 4.542595
• Molar Refractivity: 138.1758 cm^3
• Polarizability: 53.504578 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.43
• LOG S: -5.71
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5