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

• ChemBase ID: 581973
• Molecular Formular: C26H28N4O2S
• Molecular Mass: 460.59112
• Monoisotopic Mass: 460.19329716
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1sc(nc1)c1ccccc1)CC2)C)CCc1ccccc1
• Canonical SMILES: O=C1N(CCc2ccccc2)C(=O)C2(N1C)CCN(CC2)Cc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C26H28N4O2S/c1-28-25(32)30(15-12-20-8-4-2-5-9-20)24(31)26(28)13-16-29(17-14-26)19-22-18-27-23(33-22)21-10-6-3-7-11-21/h2-11,18H,12-17,19H2,1H3
• InChIKey: KPPFZCDCRLALPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-methyl-3-(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): 0.97576815
• LogD (pH = 7.4): 2.7353652
• Log P: 3.8056948
• Molar Refractivity: 140.4047 cm^3
• Polarizability: 50.71454 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.37
• LOG S: -5.54
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6