6-[4-(thiomorpholin-4-yl)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 356855
• Molecular Formular: C18H22N4OS
• Molecular Mass: 342.45848
• Monoisotopic Mass: 342.15143234
• SMILES: C(=O)(N1CCC(N2CCSCC2)CC1)c1cc2nccnc2cc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCC(CC1)N1CCSCC1
• InChI: InChI=1S/C18H22N4OS/c23-18(14-1-2-16-17(13-14)20-6-5-19-16)22-7-3-15(4-8-22)21-9-11-24-12-10-21/h1-2,5-6,13,15H,3-4,7-12H2
• InChIKey: OTOWIBVIZVIBRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(thiomorpholin-4-yl)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[4-(thiomorpholin-4-yl)piperidine-1-carbonyl]quinoxaline
• Synonyms: 6-[(4-thiomorpholin-4-ylpiperidin-1-yl)carbonyl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9557128
• LogD (pH = 7.4): -0.22058897
• Log P: 0.9850357
• Molar Refractivity: 97.1334 cm^3
• Polarizability: 38.59888 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.5
• LOG S: -2.12
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2