4-[4-(1-phenyl-1H-1,2,3-triazole-4-carbonyl)piperazine-1-carbonyl]morpholine

• ChemBase ID: 371346
• Molecular Formular: C18H22N6O3
• Molecular Mass: 370.40568
• Monoisotopic Mass: 370.17533859
• SMILES: c1(nnn(c1)c1ccccc1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(c1nnn(c1)c1ccccc1)N1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H22N6O3/c25-17(16-14-24(20-19-16)15-4-2-1-3-5-15)21-6-8-22(9-7-21)18(26)23-10-12-27-13-11-23/h1-5,14H,6-13H2
• InChIKey: ZWMFWAGMVLCNED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(1-phenyl-1H-1,2,3-triazole-4-carbonyl)piperazine-1-carbonyl]morpholine
• IUPAC Traditional name: 4-[4-(1-phenyl-1,2,3-triazole-4-carbonyl)piperazine-1-carbonyl]morpholine
• Synonyms: 4-({4-[(1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]-1-piperazinyl}carbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.33135116
• LogD (pH = 7.4): 0.33135128
• Log P: 0.33135128
• Molar Refractivity: 99.1424 cm^3
• Polarizability: 37.576767 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.76
• LOG S: -2.56
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2