1-(4-methoxybenzoyl)-4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine

• ChemBase ID: 708451
• Molecular Formular: C17H19N3O3S
• Molecular Mass: 345.41606
• Monoisotopic Mass: 345.11471248
• SMILES: c1(C(=O)N2CCN(C(=O)c3ccc(cc3)OC)CC2)c(ncs1)C
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1scnc1C
• InChI: InChI=1S/C17H19N3O3S/c1-12-15(24-11-18-12)17(22)20-9-7-19(8-10-20)16(21)13-3-5-14(23-2)6-4-13/h3-6,11H,7-10H2,1-2H3
• InChIKey: JPBSJLCNHIFEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxybenzoyl)-4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine
• IUPAC Traditional name: 1-(4-methoxybenzoyl)-4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine
• Synonyms: 1-(4-methoxybenzoyl)-4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.96434355
• LogD (pH = 7.4): 0.9643575
• Log P: 0.9643577
• Molar Refractivity: 91.9688 cm^3
• Polarizability: 34.362602 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.35
• LOG S: -2.73
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3