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

• ChemBase ID: 626506
• Molecular Formular: C26H33N3O3
• Molecular Mass: 435.55852
• Monoisotopic Mass: 435.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCc1ccccc1)CCc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)CCc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C26H33N3O3/c1-32-21-20-28-24(30)26(29(25(28)31)17-13-23-10-6-3-7-11-23)14-18-27(19-15-26)16-12-22-8-4-2-5-9-22/h2-11H,12-21H2,1H3
• InChIKey: CTGMUSKQZXPXOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.022159103
• LogD (pH = 7.4): 1.5151993
• Log P: 3.231378
• Molar Refractivity: 126.1091 cm^3
• Polarizability: 48.806316 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.34
• LOG S: -4.12
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8