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

• ChemBase ID: 525886
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccccc1)C1CCNCC1)Cc1nccs1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1nccs1)(Cc1ccccc1)C1CCNCC1
• InChI: InChI=1S/C19H22N4O2S/c24-17-19(15-6-8-20-9-7-15,12-14-4-2-1-3-5-14)22-18(25)23(17)13-16-21-10-11-26-16/h1-5,10-11,15,20H,6-9,12-13H2,(H,22,25)
• InChIKey: PIFVUMLWHDMAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-(piperidin-4-yl)-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-(piperidin-4-yl)-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1329365
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5859952
• LogD (pH = 7.4): -0.9156616
• Log P: 1.3134605
• Molar Refractivity: 99.1428 cm^3
• Polarizability: 38.618816 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.75
• LOG S: -4.25
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5