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

• ChemBase ID: 313311
• Molecular Formular: C25H32N4O3
• Molecular Mass: 436.54658
• Monoisotopic Mass: 436.2474409
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCCc1ccccc1)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CCCc1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C25H32N4O3/c1-32-18-17-29-24(31)28(20-22-9-5-13-26-19-22)23(30)25(29)11-15-27(16-12-25)14-6-10-21-7-3-2-4-8-21/h2-5,7-9,13,19H,6,10-12,14-18,20H2,1H3
• InChIKey: MWIHIJCQQKMMEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-8-(3-phenylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)-8-(3-phenylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-(2-methoxyethyl)-8-(3-phenylpropyl)-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.24216
• LogD (pH = 7.4): 0.2276909
• Log P: 2.1696131
• Molar Refractivity: 123.7982 cm^3
• Polarizability: 47.90551 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.84
• LOG S: -3.46
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 8