3-benzyl-8-(furan-3-ylmethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 452347
• Molecular Formular: C23H29N3O4
• Molecular Mass: 411.49406
• Monoisotopic Mass: 411.21580642
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cocc1)CC2)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cocc1)Cc1ccccc1
• InChI: InChI=1S/C23H29N3O4/c1-29-14-5-11-26-22(28)25(17-19-6-3-2-4-7-19)21(27)23(26)9-12-24(13-10-23)16-20-8-15-30-18-20/h2-4,6-8,15,18H,5,9-14,16-17H2,1H3
• InChIKey: XAMXRXHDESQGOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-(furan-3-ylmethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-(furan-3-ylmethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-(3-furylmethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7724084
• LogD (pH = 7.4): 1.0016824
• Log P: 1.8542609
• Molar Refractivity: 113.9779 cm^3
• Polarizability: 43.912212 Å^3
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.14
• LOG S: -2.19
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 7