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

• ChemBase ID: 675205
• Molecular Formular: C23H35N3O5
• Molecular Mass: 433.5411
• Monoisotopic Mass: 433.25767124
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(COC)C)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C(COC)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C23H35N3O5/c1-18(17-30-3)24-13-10-23(11-14-24)21(27)25(22(28)26(23)12-5-15-29-2)16-19-6-8-20(31-4)9-7-19/h6-9,18H,5,10-17H2,1-4H3
• InChIKey: MKLZKZDGFNJANS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxyphenyl)methyl]-8-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[(4-methoxyphenyl)methyl]-8-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(4-methoxybenzyl)-8-(2-methoxy-1-methylethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.9176084
• LogD (pH = 7.4): -0.26110882
• Log P: 1.2014705
• Molar Refractivity: 118.7774 cm^3
• Polarizability: 46.20238 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.32
• LOG S: -1.89
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 7