3-benzyl-1-methyl-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 446463
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nccs1)CC2)C)Cc1ccccc1
• Canonical SMILES: O=C1N(Cc2ccccc2)C(=O)C2(N1C)CCN(CC2)Cc1nccs1
• InChI: InChI=1S/C19H22N4O2S/c1-21-18(25)23(13-15-5-3-2-4-6-15)17(24)19(21)7-10-22(11-8-19)14-16-20-9-12-26-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3
• InChIKey: JHSLPJKWBIBNRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-methyl-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-1-methyl-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-1-methyl-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.271884
• LogD (pH = 7.4): 1.2193817
• Log P: 1.4329904
• Molar Refractivity: 100.091 cm^3
• Polarizability: 38.616856 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.94
• LOG S: -2.63
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4