7-(2-methoxyethyl)-2-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 538245
• Molecular Formular: C19H32N4OS
• Molecular Mass: 364.54858
• Monoisotopic Mass: 364.22968266
• SMILES: c1(ncc(s1)CN1CC2(CN(CCC2)CCOC)CC1)N1CCCC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1cnc(s1)N1CCCC1
• InChI: InChI=1S/C19H32N4OS/c1-24-12-11-21-7-4-5-19(15-21)6-10-22(16-19)14-17-13-20-18(25-17)23-8-2-3-9-23/h13H,2-12,14-16H2,1H3
• InChIKey: RMDOIZOCPLIULA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-methoxyethyl)-2-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.5003502
• LogD (pH = 7.4): 0.18610749
• Log P: 2.404773
• Molar Refractivity: 104.8612 cm^3
• Polarizability: 40.258743 Å^3
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -1.66
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 5