7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 657506
• Molecular Formular: C21H24F2N4O
• Molecular Mass: 386.4382664
• Monoisotopic Mass: 386.19181785
• SMILES: N1(C(=O)c2ncc(nc2)C)CC2(CN(Cc3c(c(F)ccc3)F)CCC2)CC1
• Canonical SMILES: Cc1cnc(cn1)C(=O)N1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C21H24F2N4O/c1-15-10-25-18(11-24-15)20(28)27-9-7-21(14-27)6-3-8-26(13-21)12-16-4-2-5-17(22)19(16)23/h2,4-5,10-11H,3,6-9,12-14H2,1H3
• InChIKey: LAMBLWZPRHQPOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2-[(5-methyl-2-pyrazinyl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.08715133
• LogD (pH = 7.4): 1.645161
• Log P: 1.9107732
• Molar Refractivity: 102.6625 cm^3
• Polarizability: 38.742977 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.19
• LOG S: -3.62
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3