N-[(2S,4R,6R)-2-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-6-(propan-2-yl)oxan-4-yl]acetamide

• ChemBase ID: 728039
• Molecular Formular: C20H26N2O3S
• Molecular Mass: 374.49704
• Monoisotopic Mass: 374.1664137
• SMILES: c1(sc([C@H]2O[C@H](C[C@H](C2)NC(=O)C)C(C)C)cn1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ncc(s1)[C@@H]1C[C@H](NC(=O)C)C[C@@H](O1)C(C)C
• InChI: InChI=1S/C20H26N2O3S/c1-12(2)17-9-14(22-13(3)23)10-18(25-17)19-11-21-20(26-19)15-7-5-6-8-16(15)24-4/h5-8,11-12,14,17-18H,9-10H2,1-4H3,(H,22,23)/t14-,17-,18+/m1/s1
• InChIKey: VNKIPHFFANWUIE-OLMNPRSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6R)-2-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-6-(propan-2-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-isopropyl-6-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]oxan-4-yl]acetamide
• Synonyms: N-{(2R*,4R*,6S*)-2-isopropyl-6-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]tetrahydro-2H-pyran-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.256994
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9011283
• LogD (pH = 7.4): 2.9012144
• Log P: 2.9012156
• Molar Refractivity: 112.0926 cm^3
• Polarizability: 40.490936 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.46
• LOG S: -3.18
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5