2-[2-(2-methoxyethyl)-2H-1,2,3,4-tetrazol-5-yl]-4-{2-methylthieno[3,2-d]pyrimidin-4-yl}morpholine

• ChemBase ID: 667244
• Molecular Formular: C15H19N7O2S
• Molecular Mass: 361.42206
• Monoisotopic Mass: 361.13209388
• SMILES: c1(nn(nn1)CCOC)C1CN(c2c3c(nc(n2)C)ccs3)CCO1
• Canonical SMILES: COCCn1nnc(n1)C1OCCN(C1)c1nc(C)nc2c1scc2
• InChI: InChI=1S/C15H19N7O2S/c1-10-16-11-3-8-25-13(11)15(17-10)21-4-7-24-12(9-21)14-18-20-22(19-14)5-6-23-2/h3,8,12H,4-7,9H2,1-2H3
• InChIKey: STURGEVGOHIHST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyethyl)-2H-1,2,3,4-tetrazol-5-yl]-4-{2-methylthieno[3,2-d]pyrimidin-4-yl}morpholine
• IUPAC Traditional name: 2-[2-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-4-{2-methylthieno[3,2-d]pyrimidin-4-yl}morpholine
• Synonyms: 4-{2-[2-(2-methoxyethyl)-2H-tetrazol-5-yl]morpholin-4-yl}-2-methylthieno[3,2-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.3885047
• LogD (pH = 7.4): 2.4529169
• Log P: 2.453804
• Molar Refractivity: 106.2106 cm^3
• Polarizability: 35.80242 Å^3
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.3
• LOG S: -2.36
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5