N,N-dimethyl-5-{2-methylthieno[3,2-d]pyrimidin-4-yl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 528079
• Molecular Formular: C16H17N5O2S
• Molecular Mass: 343.40348
• Monoisotopic Mass: 343.11029581
• SMILES: c1(c2CN(c3c4c(nc(n3)C)ccs4)CCc2on1)C(=O)N(C)C
• Canonical SMILES: Cc1nc(N2CCc3c(C2)c(no3)C(=O)N(C)C)c2c(n1)ccs2
• InChI: InChI=1S/C16H17N5O2S/c1-9-17-11-5-7-24-14(11)15(18-9)21-6-4-12-10(8-21)13(19-23-12)16(22)20(2)3/h5,7H,4,6,8H2,1-3H3
• InChIKey: HCUCMHFOSLTBOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{2-methylthieno[3,2-d]pyrimidin-4-yl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-{2-methylthieno[3,2-d]pyrimidin-4-yl}-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-5-(2-methylthieno[3,2-d]pyrimidin-4-yl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0951715
• LogD (pH = 7.4): 2.1602967
• Log P: 2.161194
• Molar Refractivity: 92.9088 cm^3
• Polarizability: 34.47756 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.23
• LOG S: -3.51
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 2