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

• ChemBase ID: 787215
• Molecular Formular: C21H23N3OS
• Molecular Mass: 365.49182
• Monoisotopic Mass: 365.15618337
• SMILES: c1(nc(cs1)CCNC1Cc2c(ccc(c2)OC)CC1)c1cnccc1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCCc1csc(n1)c1cccnc1
• InChI: InChI=1S/C21H23N3OS/c1-25-20-7-5-15-4-6-18(11-17(15)12-20)23-10-8-19-14-26-21(24-19)16-3-2-9-22-13-16/h2-3,5,7,9,12-14,18,23H,4,6,8,10-11H2,1H3
• InChIKey: MTNCIXULTVQDHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.487606
• LogD (pH = 7.4): 1.2398806
• Log P: 3.7156572
• Molar Refractivity: 115.0479 cm^3
• Polarizability: 41.20986 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.92
• LOG S: -3.35
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 6