2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 701134
• Molecular Formular: C15H23N3O2S
• Molecular Mass: 309.42702
• Monoisotopic Mass: 309.15109799
• SMILES: c1(N2CCC3(CN(C(=O)C3)CCCOC)CC2)nccs1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1nccs1
• InChI: InChI=1S/C15H23N3O2S/c1-20-9-2-6-18-12-15(11-13(18)19)3-7-17(8-4-15)14-16-5-10-21-14/h5,10H,2-4,6-9,11-12H2,1H3
• InChIKey: UATMLAILDXHFSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8754926
• LogD (pH = 7.4): 0.8772687
• Log P: 0.8772914
• Molar Refractivity: 83.6383 cm^3
• Polarizability: 31.820005 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 0.5
• LOG S: -1.88