N-{[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 662287
• Molecular Formular: C24H30N4OS
• Molecular Mass: 422.5862
• Monoisotopic Mass: 422.2140326
• SMILES: c1(nc2n(c1CNC1c3c(CCC1)cccc3)ccs2)C(=O)N1CCCCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC1CCCc3c1cccc3)ccs2)N1CCCCCCC1
• InChI: InChI=1S/C24H30N4OS/c29-23(27-13-6-2-1-3-7-14-27)22-21(28-15-16-30-24(28)26-22)17-25-20-12-8-10-18-9-4-5-11-19(18)20/h4-5,9,11,15-16,20,25H,1-3,6-8,10,12-14,17H2
• InChIKey: HFNJAFPIUMCJFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-{[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-{[6-(1-azocanylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydro-1-naphthalenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8564367
• LogD (pH = 7.4): 3.5888076
• Log P: 4.408213
• Molar Refractivity: 133.2761 cm^3
• Polarizability: 46.488888 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.58
• LOG S: -4.86
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4