N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 523234
• Molecular Formular: C17H22N2OS
• Molecular Mass: 302.43438
• Monoisotopic Mass: 302.14528433
• SMILES: n1c(scc1CC)CNC1Cc2c(ccc(c2)OC)CC1
• Canonical SMILES: CCc1csc(n1)CNC1CCc2c(C1)cc(cc2)OC
• InChI: InChI=1S/C17H22N2OS/c1-3-14-11-21-17(19-14)10-18-15-6-4-12-5-7-16(20-2)9-13(12)8-15/h5,7,9,11,15,18H,3-4,6,8,10H2,1-2H3
• InChIKey: HFMARCXUBWUAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.78968483
• LogD (pH = 7.4): 2.497797
• Log P: 3.4951472
• Molar Refractivity: 86.4714 cm^3
• Polarizability: 33.65977 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.34
• LOG S: -3.25
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5