N-[(2R,4R,6S)-2-cyclohexyl-6-(1-methyl-1H-1,2,3-benzotriazol-5-yl)oxan-4-yl]acetamide

• ChemBase ID: 833945
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: n1nc2c(n1C)ccc([C@H]1O[C@H](C[C@H](C1)NC(=O)C)C1CCCCC1)c2
• Canonical SMILES: CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)c1ccc2c(c1)nnn2C)C1CCCCC1
• InChI: InChI=1S/C20H28N4O2/c1-13(25)21-16-11-19(14-6-4-3-5-7-14)26-20(12-16)15-8-9-18-17(10-15)22-23-24(18)2/h8-10,14,16,19-20H,3-7,11-12H2,1-2H3,(H,21,25)/t16-,19-,20+/m1/s1
• InChIKey: GPXAJGIHYXUVBH-AHRSYUTCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-cyclohexyl-6-(1-methyl-1H-1,2,3-benzotriazol-5-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-cyclohexyl-6-(1-methyl-1,2,3-benzotriazol-5-yl)oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-cyclohexyl-6-(1-methyl-1H-1,2,3-benzotriazol-5-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.716925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.564573
• LogD (pH = 7.4): 2.5645766
• Log P: 2.5645769
• Molar Refractivity: 110.7522 cm^3
• Polarizability: 39.906128 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -3.15
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 3