8-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 344172
• Molecular Formular: C23H27FN4O3
• Molecular Mass: 426.4838832
• Monoisotopic Mass: 426.20671896
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(F)ccc1)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cccc(c1)F)Cc1cccnc1
• InChI: InChI=1S/C23H27FN4O3/c1-31-13-12-28-22(30)27(17-19-5-3-9-25-15-19)21(29)23(28)7-10-26(11-8-23)16-18-4-2-6-20(24)14-18/h2-6,9,14-15H,7-8,10-13,16-17H2,1H3
• InChIKey: AADCOIJCIPBZIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(3-fluorobenzyl)-1-(2-methoxyethyl)-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0831586
• LogD (pH = 7.4): 0.7609164
• Log P: 1.5790852
• Molar Refractivity: 114.6586 cm^3
• Polarizability: 43.984516 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.47
• LOG S: -2.65
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6