3-ethyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 832566
• Molecular Formular: C27H30N4O2S
• Molecular Mass: 474.6177
• Monoisotopic Mass: 474.20894722
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1sc(nc1)c1ccccc1)CC2)CCc1ccccc1)CC
• Canonical SMILES: CCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cnc(s1)c1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C27H30N4O2S/c1-2-30-25(32)27(31(26(30)33)16-13-21-9-5-3-6-10-21)14-17-29(18-15-27)20-23-19-28-24(34-23)22-11-7-4-8-12-22/h3-12,19H,2,13-18,20H2,1H3
• InChIKey: NWMXPMSKVPMAFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-ethyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-ethyl-1-(2-phenylethyl)-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3539296
• LogD (pH = 7.4): 3.1167226
• Log P: 4.162503
• Molar Refractivity: 145.1533 cm^3
• Polarizability: 52.556892 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.9
• LOG S: -5.58
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6