N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]oxan-4-yl]acetamide

• ChemBase ID: 472897
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: c1([C@H]2O[C@H](C[C@H](C2)NC(=O)C)Cc2ccccc2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1[C@@H]1C[C@H](NC(=O)C)C[C@@H](O1)Cc1ccccc1
• InChI: InChI=1S/C20H27N3O3/c1-15(24)22-17-13-18(12-16-6-4-3-5-7-16)26-19(14-17)20-21-8-9-23(20)10-11-25-2/h3-9,17-19H,10-14H2,1-2H3,(H,22,24)/t17-,18+,19+/m1/s1
• InChIKey: IRHYCLOPVDQZCU-QYZOEREBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
• Synonyms: N-{(2S*,4R*,6S*)-2-benzyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]tetrahydro-2H-pyran-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.658862
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.95571816
• LogD (pH = 7.4): 1.2880961
• Log P: 1.2953017
• Molar Refractivity: 99.4558 cm^3
• Polarizability: 38.701 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.17
• LOG S: -2.97
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 7