1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-(oxan-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 470256
• Molecular Formular: C23H33N3O5
• Molecular Mass: 431.52522
• Monoisotopic Mass: 431.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCOCC1)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C1CCOCC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C23H33N3O5/c1-29-15-12-26-22(28)25(17-18-4-3-5-20(16-18)30-2)21(27)23(26)8-10-24(11-9-23)19-6-13-31-14-7-19/h3-5,16,19H,6-15,17H2,1-2H3
• InChIKey: XGGCWKBXBDHJDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-(oxan-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-(oxan-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(3-methoxybenzyl)-1-(2-methoxyethyl)-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.644549
• LogD (pH = 7.4): -1.3373247
• Log P: 0.7330974
• Molar Refractivity: 116.9252 cm^3
• Polarizability: 45.48168 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.33
• LOG S: -1.8
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 5