3-[3-(1H-imidazol-1-yl)propyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 590617
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: N1(C(=O)N(C2(C1=O)CCNCC2)CC(C)C)CCCn1cncc1
• Canonical SMILES: CC(CN1C(=O)N(C(=O)C21CCNCC2)CCCn1ccnc1)C
• InChI: InChI=1S/C17H27N5O2/c1-14(2)12-22-16(24)21(10-3-9-20-11-8-19-13-20)15(23)17(22)4-6-18-7-5-17/h8,11,13-14,18H,3-7,9-10,12H2,1-2H3
• InChIKey: KZSGDFGEZBPKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(1H-imidazol-1-yl)propyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[3-(imidazol-1-yl)propyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-[3-(1H-imidazol-1-yl)propyl]-1-isobutyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.6719239
• LogD (pH = 7.4): -2.5100293
• Log P: 0.08022683
• Molar Refractivity: 91.5858 cm^3
• Polarizability: 35.430725 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.63
• LOG S: -2.17
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6