1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-3-(3-methoxyphenoxymethyl)piperidine

• ChemBase ID: 371238
• Molecular Formular: C20H26N2O3S
• Molecular Mass: 374.49704
• Monoisotopic Mass: 374.1664137
• SMILES: c1(C(=O)N2CC(COc3cc(OC)ccc3)CCC2)c(nc(s1)CC)C
• Canonical SMILES: CCc1nc(c(s1)C(=O)N1CCCC(C1)COc1cccc(c1)OC)C
• InChI: InChI=1S/C20H26N2O3S/c1-4-18-21-14(2)19(26-18)20(23)22-10-6-7-15(12-22)13-25-17-9-5-8-16(11-17)24-3/h5,8-9,11,15H,4,6-7,10,12-13H2,1-3H3
• InChIKey: RFXASVKTSIBJQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-3-(3-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-3-(3-methoxyphenoxymethyl)piperidine
• Synonyms: 1-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[(3-methoxyphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.0140684
• LogD (pH = 7.4): 3.0141377
• Log P: 3.0141387
• Molar Refractivity: 102.748 cm^3
• Polarizability: 39.442158 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.64
• LOG S: -4.18
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4