8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 660884
• Molecular Formular: C26H32N4O5
• Molecular Mass: 480.55608
• Monoisotopic Mass: 480.23727014
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(OCCO2)cc1)CCCOC)Cc1ncccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2)Cc1ccccn1
• InChI: InChI=1S/C26H32N4O5/c1-33-14-4-11-30-25(32)29(19-21-5-2-3-10-27-21)24(31)26(30)8-12-28(13-9-26)18-20-6-7-22-23(17-20)35-16-15-34-22/h2-3,5-7,10,17H,4,8-9,11-16,18-19H2,1H3
• InChIKey: KVTAENZGUPKOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -1.5564705
• LogD (pH = 7.4): 0.2345094
• Log P: 1.0909474
• Molar Refractivity: 129.7428 cm^3
• Polarizability: 50.47281 Å^3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.39
• LOG S: -3.01
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 7