5-benzyl-3-[2-(pyridin-2-yl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 608900
• Molecular Formular: C26H29N5O2S
• Molecular Mass: 475.60576
• Monoisotopic Mass: 475.20419619
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(Cc2nccs2)CC1)Cc1ccccc1)CCc1ncccc1
• Canonical SMILES: O=C1NC(C(=O)N1CCc1ccccn1)(Cc1ccccc1)C1CCN(CC1)Cc1nccs1
• InChI: InChI=1S/C26H29N5O2S/c32-24-26(18-20-6-2-1-3-7-20,21-9-14-30(15-10-21)19-23-28-13-17-34-23)29-25(33)31(24)16-11-22-8-4-5-12-27-22/h1-8,12-13,17,21H,9-11,14-16,18-19H2,(H,29,33)
• InChIKey: YDDQGGLCDDHJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-3-[2-(pyridin-2-yl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-3-[2-(pyridin-2-yl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-benzyl-3-[2-(2-pyridinyl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.088609
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1614449
• LogD (pH = 7.4): 2.6548712
• Log P: 2.8436286
• Molar Refractivity: 131.0704 cm^3
• Polarizability: 50.980984 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.03
• LOG S: -4.78
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 8