(furan-2-ylmethyl)(quinolin-2-ylmethyl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 681781
• Molecular Formular: C20H18N2OS
• Molecular Mass: 334.43472
• Monoisotopic Mass: 334.11398421
• SMILES: n1c2c(ccc1CN(Cc1cscc1)Cc1occc1)cccc2
• Canonical SMILES: s1ccc(c1)CN(Cc1ccc2c(n1)cccc2)Cc1ccco1
• InChI: InChI=1S/C20H18N2OS/c1-2-6-20-17(4-1)7-8-18(21-20)13-22(12-16-9-11-24-15-16)14-19-5-3-10-23-19/h1-11,15H,12-14H2
• InChIKey: PIYMPONIHMSRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(quinolin-2-ylmethyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(quinolin-2-ylmethyl)(thiophen-3-ylmethyl)amine
• Synonyms: (2-furylmethyl)(quinolin-2-ylmethyl)(3-thienylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3123736
• LogD (pH = 7.4): 4.379597
• Log P: 4.443404
• Molar Refractivity: 96.7217 cm^3
• Polarizability: 38.719532 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.12
• LOG S: -4.15
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 6