1-benzyl-8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 515889
• Molecular Formular: C24H29N3O4
• Molecular Mass: 423.50476
• Monoisotopic Mass: 423.21580642
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1occc1)Cc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C24H29N3O4/c1-30-18-16-26-22(28)24(27(23(26)29)19-20-7-3-2-4-8-20)11-14-25(15-12-24)13-5-9-21-10-6-17-31-21/h2-10,17H,11-16,18-19H2,1H3/b9-5+
• InChIKey: CJJLTWLCWBKRIZ-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.014239471
• LogD (pH = 7.4): 1.7298455
• Log P: 2.324218
• Molar Refractivity: 119.3086 cm^3
• Polarizability: 45.5859 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: 2.41
• LOG S: -3.35
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 7