N-methyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 737116
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(ncc(s1)CN(C1c2c(CCC1)cccc2)C)N1CCOCC1
• Canonical SMILES: CN(C1CCCc2c1cccc2)Cc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C19H25N3OS/c1-21(18-8-4-6-15-5-2-3-7-17(15)18)14-16-13-20-19(24-16)22-9-11-23-12-10-22/h2-3,5,7,13,18H,4,6,8-12,14H2,1H3
• InChIKey: FBYCFCSZNQVMAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-methyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-methyl-N-{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}-1,2,3,4-tetrahydro-1-naphthalenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1293516
• LogD (pH = 7.4): 2.8829377
• Log P: 3.9929342
• Molar Refractivity: 99.364 cm^3
• Polarizability: 37.921597 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.35
• LOG S: -2.7
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4