N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine

• ChemBase ID: 785767
• Molecular Formular: C17H22N6O2S
• Molecular Mass: 374.46058
• Monoisotopic Mass: 374.15249497
• SMILES: c1(c2sccc2ncn1)N1CCC(NCc2nc(no2)CCOC)CC1
• Canonical SMILES: COCCc1noc(n1)CNC1CCN(CC1)c1ncnc2c1scc2
• InChI: InChI=1S/C17H22N6O2S/c1-24-8-4-14-21-15(25-22-14)10-18-12-2-6-23(7-3-12)17-16-13(5-9-26-16)19-11-20-17/h5,9,11-12,18H,2-4,6-8,10H2,1H3
• InChIKey: ZYFXMZSCCLZJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• Synonyms: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.14037438
• LogD (pH = 7.4): 1.6344992
• Log P: 1.8467469
• Molar Refractivity: 100.9218 cm^3
• Polarizability: 38.56929 Å^3
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.71
• LOG S: -2.38
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 7