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

• ChemBase ID: 329623
• Molecular Formular: C23H29N3O4
• Molecular Mass: 411.49406
• Monoisotopic Mass: 411.21580642
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cocc1)CC2)CCOC)CCc1ccccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cocc1)CCc1ccccc1
• InChI: InChI=1S/C23H29N3O4/c1-29-16-14-26-22(28)25(11-7-19-5-3-2-4-6-19)21(27)23(26)9-12-24(13-10-23)17-20-8-15-30-18-20/h2-6,8,15,18H,7,9-14,16-17H2,1H3
• InChIKey: GDGHYALRQDGIAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5437061
• LogD (pH = 7.4): 1.2303847
• Log P: 2.0829623
• Molar Refractivity: 113.8675 cm^3
• Polarizability: 43.914318 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: 2.37
• LOG S: -2.66
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 7