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

• ChemBase ID: 342149
• Molecular Formular: C22H28N4O3S
• Molecular Mass: 428.54772
• Monoisotopic Mass: 428.18821178
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nccs1)CC2)CCc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1nccs1)CCc1ccccc1
• InChI: InChI=1S/C22H28N4O3S/c1-29-15-14-25-20(27)22(8-12-24(13-9-22)17-19-23-10-16-30-19)26(21(25)28)11-7-18-5-3-2-4-6-18/h2-6,10,16H,7-9,11-15,17H2,1H3
• InChIKey: AAZCDKPAHXXIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -8.853592E-5
• LogD (pH = 7.4): 1.4729254
• Log P: 1.6746761
• Molar Refractivity: 115.8895 cm^3
• Polarizability: 44.842113 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.54
• LOG S: -3.26
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7