5-[(2-chlorophenyl)methyl]-5-(piperidin-4-yl)-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 390765
• Molecular Formular: C19H21ClN4O2S
• Molecular Mass: 404.91364
• Monoisotopic Mass: 404.10737461
• SMILES: N1(C(=O)NC(C1=O)(Cc1c(Cl)cccc1)C1CCNCC1)Cc1scnc1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1cncs1)(Cc1ccccc1Cl)C1CCNCC1
• InChI: InChI=1S/C19H21ClN4O2S/c20-16-4-2-1-3-13(16)9-19(14-5-7-21-8-6-14)17(25)24(18(26)23-19)11-15-10-22-12-27-15/h1-4,10,12,14,21H,5-9,11H2,(H,23,26)
• InChIKey: KVRXOIOFGHDTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-chlorophenyl)methyl]-5-(piperidin-4-yl)-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-chlorophenyl)methyl]-5-(piperidin-4-yl)-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-(2-chlorobenzyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.632324
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.92247665
• LogD (pH = 7.4): -0.25135055
• Log P: 1.798032
• Molar Refractivity: 104.4047 cm^3
• Polarizability: 40.523106 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: 2.2
• LOG S: -4.03
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5