dimethyl[2-({[5-(oxolan-2-yl)thiophen-2-yl]methyl}(thiophen-3-ylmethyl)amino)ethyl]amine

• ChemBase ID: 728280
• Molecular Formular: C18H26N2OS2
• Molecular Mass: 350.54184
• Monoisotopic Mass: 350.14865546
• SMILES: s1c(ccc1CN(Cc1cscc1)CCN(C)C)C1OCCC1
• Canonical SMILES: CN(CCN(Cc1ccc(s1)C1CCCO1)Cc1cscc1)C
• InChI: InChI=1S/C18H26N2OS2/c1-19(2)8-9-20(12-15-7-11-22-14-15)13-16-5-6-18(23-16)17-4-3-10-21-17/h5-7,11,14,17H,3-4,8-10,12-13H2,1-2H3
• InChIKey: CFDAHRWFAHEHMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-({[5-(oxolan-2-yl)thiophen-2-yl]methyl}(thiophen-3-ylmethyl)amino)ethyl]amine
• IUPAC Traditional name: dimethyl[2-({[5-(oxolan-2-yl)thiophen-2-yl]methyl}(thiophen-3-ylmethyl)amino)ethyl]amine
• Synonyms: N,N-dimethyl-N'-{[5-(tetrahydrofuran-2-yl)-2-thienyl]methyl}-N'-(3-thienylmethyl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4959559
• LogD (pH = 7.4): 2.0665364
• Log P: 3.8248641
• Molar Refractivity: 99.7905 cm^3
• Polarizability: 38.647095 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -3.63
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8