1-[6-(morpholine-4-carbonyl)pyrazin-2-yl]azepan-4-amine

• ChemBase ID: 687507
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: c1(nc(N2CCC(N)CCC2)cnc1)C(=O)N1CCOCC1
• Canonical SMILES: NC1CCCN(CC1)c1cncc(n1)C(=O)N1CCOCC1
• InChI: InChI=1S/C15H23N5O2/c16-12-2-1-4-19(5-3-12)14-11-17-10-13(18-14)15(21)20-6-8-22-9-7-20/h10-12H,1-9,16H2
• InChIKey: OPZWIOHSSYHGED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(morpholine-4-carbonyl)pyrazin-2-yl]azepan-4-amine
• IUPAC Traditional name: 1-[6-(morpholine-4-carbonyl)pyrazin-2-yl]azepan-4-amine
• Synonyms: 1-[6-(4-morpholinylcarbonyl)-2-pyrazinyl]-4-azepanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.5862732
• LogD (pH = 7.4): -3.0769427
• Log P: -0.5657149
• Molar Refractivity: 84.087 cm^3
• Polarizability: 31.727304 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.93
• LOG S: -1.94
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 2