8-[2-(dimethyl-1,3-thiazol-5-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 694242
• Molecular Formular: C19H29N3O3S
• Molecular Mass: 379.51686
• Monoisotopic Mass: 379.1929628
• SMILES: c1(CC(=O)N2CC3(CN(C(=O)CC3)CCOC)CCC2)sc(nc1C)C
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)Cc2sc(nc2C)C)CCC1=O
• InChI: InChI=1S/C19H29N3O3S/c1-14-16(26-15(2)20-14)11-18(24)21-8-4-6-19(12-21)7-5-17(23)22(13-19)9-10-25-3/h4-13H2,1-3H3
• InChIKey: PABUYMBHCSPRMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(dimethyl-1,3-thiazol-5-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[2-(dimethyl-1,3-thiazol-5-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.28866565
• LogD (pH = 7.4): 0.29052228
• Log P: 0.29054603
• Molar Refractivity: 101.0575 cm^3
• Polarizability: 39.107758 Å^3
• Polar Surface Area: 62.74 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: 1.12
• LOG S: -2.92
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5