N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 414379
• Molecular Formular: C29H34N2O5S
• Molecular Mass: 522.65566
• Monoisotopic Mass: 522.2188432
• SMILES: n1c(scc1CC(=O)N(Cc1cc(OCC2(COC2)C)c(cc1)OC)CC1OCCC1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1OCC1(C)COC1)CN(C(=O)Cc1csc(n1)c1ccccc1)CC1CCCO1
• InChI: InChI=1S/C29H34N2O5S/c1-29(18-34-19-29)20-36-26-13-21(10-11-25(26)33-2)15-31(16-24-9-6-12-35-24)27(32)14-23-17-37-28(30-23)22-7-4-3-5-8-22/h3-5,7-8,10-11,13,17,24H,6,9,12,14-16,18-20H2,1-2H3
• InChIKey: JHEXNQCHJDJGOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-2-(2-phenyl-1,3-thiazol-4-yl)-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3708525
• LogD (pH = 7.4): 4.371
• Log P: 4.3710017
• Molar Refractivity: 152.8945 cm^3
• Polarizability: 56.24338 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.19
• LOG S: -5.12
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 10