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

• ChemBase ID: 432833
• Molecular Formular: C29H32FN3O3
• Molecular Mass: 489.5810832
• Monoisotopic Mass: 489.24277012
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(F)ccc1)CCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cccc(c1)F)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C29H32FN3O3/c1-36-17-5-14-33-28(35)32(21-23-10-11-24-7-2-3-8-25(24)18-23)27(34)29(33)12-15-31(16-13-29)20-22-6-4-9-26(30)19-22/h2-4,6-11,18-19H,5,12-17,20-21H2,1H3
• InChIKey: JVDVYDZVSUCTGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2556815
• LogD (pH = 7.4): 3.0290258
• Log P: 3.846194
• Molar Refractivity: 138.1311 cm^3
• Polarizability: 54.184277 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.28
• LOG S: -5.25
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7