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

• ChemBase ID: 643341
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cocc1)CC2)CCc1ccccc1)CC
• Canonical SMILES: CCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cocc1)CCc1ccccc1
• InChI: InChI=1S/C22H27N3O3/c1-2-24-20(26)22(10-13-23(14-11-22)16-19-9-15-28-17-19)25(21(24)27)12-8-18-6-4-3-5-7-18/h3-7,9,15,17H,2,8,10-14,16H2,1H3
• InChIKey: GDTBXVSTTCYZSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.13992348
• LogD (pH = 7.4): 1.6341674
• Log P: 2.4867458
• Molar Refractivity: 107.5726 cm^3
• Polarizability: 41.370457 Å^3
• Polar Surface Area: 57.0 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: 2.63
• LOG S: -3.32
• Polar Surface Area: 57.0 Å^2
• Rotatable Bonds: 5