1-(4-methoxybenzoyl)-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine

• ChemBase ID: 836546
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCN(C(=O)c2ccc(cc2)OC)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C19H23N3O3S/c1-3-4-17-20-16(13-26-17)19(24)22-11-9-21(10-12-22)18(23)14-5-7-15(25-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
• InChIKey: ZCQNNILLWZVSAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxybenzoyl)-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine
• IUPAC Traditional name: 1-(4-methoxybenzoyl)-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine
• Synonyms: 1-(4-methoxybenzoyl)-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3545654
• LogD (pH = 7.4): 2.3545678
• Log P: 2.3545678
• Molar Refractivity: 100.8898 cm^3
• Polarizability: 38.02349 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.91
• LOG S: -2.7
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5