2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 716772
• Molecular Formular: C17H27N3O2S
• Molecular Mass: 337.48018
• Monoisotopic Mass: 337.18239812
• SMILES: c1(c(ncs1)C)CN1CCC2(CN(C(=O)CC2)CCOC)CC1
• Canonical SMILES: COCCN1CC2(CCN(CC2)Cc2scnc2C)CCC1=O
• InChI: InChI=1S/C17H27N3O2S/c1-14-15(23-13-18-14)11-19-7-5-17(6-8-19)4-3-16(21)20(12-17)9-10-22-2/h13H,3-12H2,1-2H3
• InChIKey: YCOKPFMDXCRLTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2912288
• LogD (pH = 7.4): -0.5639317
• Log P: 0.6748128
• Molar Refractivity: 92.3903 cm^3
• Polarizability: 35.789524 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.64
• LOG S: -2.21
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5