[(2-fluorophenyl)methyl](2-methoxyethyl){[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}amine

• ChemBase ID: 316736
• Molecular Formular: C17H23FN2OS
• Molecular Mass: 322.4407232
• Monoisotopic Mass: 322.15151259
• SMILES: n1c(csc1CN(Cc1c(F)cccc1)CCOC)C(C)C
• Canonical SMILES: COCCN(Cc1ccccc1F)Cc1scc(n1)C(C)C
• InChI: InChI=1S/C17H23FN2OS/c1-13(2)16-12-22-17(19-16)11-20(8-9-21-3)10-14-6-4-5-7-15(14)18/h4-7,12-13H,8-11H2,1-3H3
• InChIKey: HCMJFWWWQPWOHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](2-methoxyethyl){[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl][(4-isopropyl-1,3-thiazol-2-yl)methyl](2-methoxyethyl)amine
• Synonyms: (2-fluorobenzyl)[(4-isopropyl-1,3-thiazol-2-yl)methyl](2-methoxyethyl)amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.71
• LOG S: -3.71
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8
• H Acceptors: 3

JChem

• LogD (pH = 5.5): 3.2416239
• LogD (pH = 7.4): 3.8256752
• Log P: 3.8416936
• Molar Refractivity: 88.8015 cm^3
• Polarizability: 34.219826 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0