7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 840405
• Molecular Formular: C19H22FN3OS
• Molecular Mass: 359.4608832
• Monoisotopic Mass: 359.14676156
• SMILES: N1(C(=O)c2ncsc2)CC2(CN(Cc3ccc(F)cc3)CCC2)CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)C(=O)c1cscn1
• InChI: InChI=1S/C19H22FN3OS/c20-16-4-2-15(3-5-16)10-22-8-1-6-19(12-22)7-9-23(13-19)18(24)17-11-25-14-21-17/h2-5,11,14H,1,6-10,12-13H2
• InChIKey: FNDXXQWKOJHCBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-(1,3-thiazol-4-ylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14643608
• LogD (pH = 7.4): 1.9195647
• Log P: 2.7308388
• Molar Refractivity: 97.3768 cm^3
• Polarizability: 36.86877 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.4
• LOG S: -3.09
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3