7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 700656
• Molecular Formular: C19H20FN3O2S
• Molecular Mass: 373.4444032
• Monoisotopic Mass: 373.12602612
• SMILES: C12(C(=O)N(Cc3ccc(F)cc3)CCC2)CN(C(=O)c2ncsc2)CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1=O)CCN(C2)C(=O)c1cscn1
• InChI: InChI=1S/C19H20FN3O2S/c20-15-4-2-14(3-5-15)10-22-8-1-6-19(18(22)25)7-9-23(12-19)17(24)16-11-26-13-21-16/h2-5,11,13H,1,6-10,12H2
• InChIKey: CKVCJVVPLHFHEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(4-fluorobenzyl)-2-(1,3-thiazol-4-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.134965
• LogD (pH = 7.4): 2.1349654
• Log P: 2.1349654
• Molar Refractivity: 97.2081 cm^3
• Polarizability: 36.611317 Å^3
• Polar Surface Area: 53.51 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: 1.22
• LOG S: -3.57
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3