2-(3-methoxypropyl)-8-[3-(thiophen-3-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 556147
• Molecular Formular: C19H28N2O3S
• Molecular Mass: 364.50222
• Monoisotopic Mass: 364.18206377
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CCc1cscc1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)CCc1cscc1
• InChI: InChI=1S/C19H28N2O3S/c1-24-11-2-8-21-15-19(13-18(21)23)6-9-20(10-7-19)17(22)4-3-16-5-12-25-14-16/h5,12,14H,2-4,6-11,13,15H2,1H3
• InChIKey: CLOPYPXTSWOUSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-[3-(thiophen-3-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-[3-(thiophen-3-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-[3-(3-thienyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9293726
• LogD (pH = 7.4): 0.92937315
• Log P: 0.92937315
• Molar Refractivity: 99.158 cm^3
• Polarizability: 38.281124 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.83
• LOG S: -3.42
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7