7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 662850
• Molecular Formular: C17H25N3O2S
• Molecular Mass: 335.4643
• Monoisotopic Mass: 335.16674806
• SMILES: C1(=O)C2(CN(Cc3nccs3)CC2)CCCN1C1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1nccs1)C1CCOCC1
• InChI: InChI=1S/C17H25N3O2S/c21-16-17(4-1-7-20(16)14-2-9-22-10-3-14)5-8-19(13-17)12-15-18-6-11-23-15/h6,11,14H,1-5,7-10,12-13H2
• InChIKey: BMAMZZAGBSHIHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(tetrahydro-2H-pyran-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9143693
• LogD (pH = 7.4): -0.14945053
• Log P: 0.559697
• Molar Refractivity: 90.2245 cm^3
• Polarizability: 35.152287 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -3.14
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3