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

• ChemBase ID: 552092
• Molecular Formular: C18H24N2OS
• Molecular Mass: 316.46096
• Monoisotopic Mass: 316.1609344
• SMILES: n1c(csc1CCC)CNC1Cc2c(ccc(c2)OC)CC1
• Canonical SMILES: CCCc1scc(n1)CNC1CCc2c(C1)cc(cc2)OC
• InChI: InChI=1S/C18H24N2OS/c1-3-4-18-20-16(12-22-18)11-19-15-7-5-13-6-8-17(21-2)10-14(13)9-15/h6,8,10,12,15,19H,3-5,7,9,11H2,1-2H3
• InChIKey: BLIMTGPHLHJYNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1553354
• LogD (pH = 7.4): 2.8372924
• Log P: 3.9397159
• Molar Refractivity: 91.0724 cm^3
• Polarizability: 35.502186 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.87
• LOG S: -3.81
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6