2-(5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-1H-1,2,3,4-tetrazol-1-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

• ChemBase ID: 332432
• Molecular Formular: C16H24N8O2
• Molecular Mass: 360.41416
• Monoisotopic Mass: 360.20222205
• SMILES: n1(c(nnn1)CN1C[C@H](O[C@H](C1)C)C)CC(=O)N(Cc1nccnc1)C
• Canonical SMILES: C[C@@H]1CN(C[C@@H](O1)C)Cc1nnnn1CC(=O)N(Cc1cnccn1)C
• InChI: InChI=1S/C16H24N8O2/c1-12-7-23(8-13(2)26-12)10-15-19-20-21-24(15)11-16(25)22(3)9-14-6-17-4-5-18-14/h4-6,12-13H,7-11H2,1-3H3/t12-,13+
• InChIKey: CALZOHWENFPNJR-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-1H-1,2,3,4-tetrazol-1-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-1,2,3,4-tetrazol-1-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• Synonyms: 2-(5-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1H-tetrazol-1-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -1.5892713
• LogD (pH = 7.4): -1.5298945
• Log P: -1.5290825
• Molar Refractivity: 106.7932 cm^3
• Polarizability: 36.222595 Å^3
• Polar Surface Area: 102.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: -1.23
• LOG S: -2.09
• Polar Surface Area: 102.16 Å^2
• Rotatable Bonds: 6