7-(3-methoxypropyl)-2-{6-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 863368
• Molecular Formular: C19H26N4O2S
• Molecular Mass: 374.50034
• Monoisotopic Mass: 374.17764709
• SMILES: c12c(N3CC4(C(=O)N(CCCOC)CCC4)CC3)ncnc1sc(c2)C
• Canonical SMILES: COCCCN1CCCC2(C1=O)CCN(C2)c1ncnc2c1cc(s2)C
• InChI: InChI=1S/C19H26N4O2S/c1-14-11-15-16(20-13-21-17(15)26-14)23-9-6-19(12-23)5-3-7-22(18(19)24)8-4-10-25-2/h11,13H,3-10,12H2,1-2H3
• InChIKey: JCZVAPIJBSTNTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-methoxypropyl)-2-{6-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(3-methoxypropyl)-2-{6-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-methoxypropyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.596158
• LogD (pH = 7.4): 2.6063461
• Log P: 2.6064777
• Molar Refractivity: 104.3352 cm^3
• Polarizability: 39.511833 Å^3
• Polar Surface Area: 58.56 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: 1.94
• LOG S: -3.59
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5