N-ethyl-N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}oxan-4-amine

• ChemBase ID: 686720
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: c1(ncc(s1)CN(C1CCOCC1)CC)c1c(OC)cccc1
• Canonical SMILES: CCN(C1CCOCC1)Cc1cnc(s1)c1ccccc1OC
• InChI: InChI=1S/C18H24N2O2S/c1-3-20(14-8-10-22-11-9-14)13-15-12-19-18(23-15)16-6-4-5-7-17(16)21-2/h4-7,12,14H,3,8-11,13H2,1-2H3
• InChIKey: PQJMQHFFJSFFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}oxan-4-amine
• IUPAC Traditional name: N-ethyl-N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}oxan-4-amine
• Synonyms: N-ethyl-N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.37427774
• LogD (pH = 7.4): 1.1483368
• Log P: 2.8909678
• Molar Refractivity: 104.3821 cm^3
• Polarizability: 37.12216 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.42
• LOG S: -3.54
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6