7-(1,3-benzothiazol-2-yl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 488242
• Molecular Formular: C15H18N2OS
• Molecular Mass: 274.38122
• Monoisotopic Mass: 274.11398421
• SMILES: c1(nc2c(s1)cccc2)N1CC2(COCC2)CCC1
• Canonical SMILES: c1ccc2c(c1)sc(n2)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H18N2OS/c1-2-5-13-12(4-1)16-14(19-13)17-8-3-6-15(10-17)7-9-18-11-15/h1-2,4-5H,3,6-11H2
• InChIKey: NRROUUNDDHAYJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1,3-benzothiazol-2-yl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-(1,3-benzothiazol-2-yl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(1,3-benzothiazol-2-yl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3874643
• LogD (pH = 7.4): 3.387922
• Log P: 3.387928
• Molar Refractivity: 76.8366 cm^3
• Polarizability: 30.715425 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.44
• LOG S: -5.0
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1