7-[(4-fluorophenyl)methyl]-2-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 523473
• Molecular Formular: C24H38FN3O
• Molecular Mass: 403.5764232
• Monoisotopic Mass: 403.29989107
• SMILES: N1(CC2(CN(Cc3ccc(F)cc3)CCC2)CC1)CC(CN1CCOCC1)(C)C
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C24H38FN3O/c1-23(2,17-26-12-14-29-15-13-26)18-28-11-9-24(20-28)8-3-10-27(19-24)16-21-4-6-22(25)7-5-21/h4-7H,3,8-20H2,1-2H3
• InChIKey: RRUSSVQBGHEXKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[2,2-dimethyl-3-(4-morpholinyl)propyl]-7-(4-fluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3504632
• LogD (pH = 7.4): 0.34152058
• Log P: 3.4369059
• Molar Refractivity: 118.317 cm^3
• Polarizability: 46.211258 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.99
• LOG S: -0.39
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6