3-(1-{2-methylthieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 534179
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: c1(c2c(nc(n1)C)ccs2)N1CCC(N2C(=O)OCC2)CC1
• Canonical SMILES: O=C1OCCN1C1CCN(CC1)c1nc(C)nc2c1scc2
• InChI: InChI=1S/C15H18N4O2S/c1-10-16-12-4-9-22-13(12)14(17-10)18-5-2-11(3-6-18)19-7-8-21-15(19)20/h4,9,11H,2-3,5-8H2,1H3
• InChIKey: PHLPXYLOLWLTFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{2-methylthieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(1-{2-methylthieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-oxazolidin-2-one
• Synonyms: 3-[1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3385816
• LogD (pH = 7.4): 2.4099443
• Log P: 2.410935
• Molar Refractivity: 84.4338 cm^3
• Polarizability: 32.81261 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -4.41
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2