1-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine

• ChemBase ID: 689478
• Molecular Formular: C19H26ClN3OS
• Molecular Mass: 379.94724
• Monoisotopic Mass: 379.14851115
• SMILES: c1(nc2c(s1)cc(cc2)Cl)N1CCC(CC1)NCCCC1COCC1
• Canonical SMILES: Clc1ccc2c(c1)sc(n2)N1CCC(CC1)NCCCC1COCC1
• InChI: InChI=1S/C19H26ClN3OS/c20-15-3-4-17-18(12-15)25-19(22-17)23-9-5-16(6-10-23)21-8-1-2-14-7-11-24-13-14/h3-4,12,14,16,21H,1-2,5-11,13H2
• InChIKey: GPYXJFLUJJLIOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
• IUPAC Traditional name: 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
• Synonyms: 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(tetrahydrofuran-3-yl)propyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.78400224
• LogD (pH = 7.4): 1.1197486
• Log P: 4.019924
• Molar Refractivity: 103.8863 cm^3
• Polarizability: 41.473576 Å^3
• Polar Surface Area: 37.39 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: 2.99
• LOG S: -3.52
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 6