{7-chloro-5-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine

• ChemBase ID: 777615
• Molecular Formular: C18H19ClN4O3
• Molecular Mass: 374.82146
• Monoisotopic Mass: 374.11456817
• SMILES: c1(C(=O)N2CCOCC2)nc(c2cc3c(OC(C3)CN)c(c2)Cl)cnc1
• Canonical SMILES: NCC1Cc2c(O1)c(Cl)cc(c2)c1cncc(n1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H19ClN4O3/c19-14-7-11(5-12-6-13(8-20)26-17(12)14)15-9-21-10-16(22-15)18(24)23-1-3-25-4-2-23/h5,7,9-10,13H,1-4,6,8,20H2
• InChIKey: PZTBQVOJDWIFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7-chloro-5-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• IUPAC Traditional name: {7-chloro-5-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• Synonyms: ({7-chloro-5-[6-(morpholin-4-ylcarbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.1801238
• LogD (pH = 7.4): -1.0947771
• Log P: 0.78536415
• Molar Refractivity: 96.2803 cm^3
• Polarizability: 38.48549 Å^3
• Polar Surface Area: 90.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.29
• LOG S: -3.0
• Polar Surface Area: 90.57 Å^2
• Rotatable Bonds: 3