7-(pyridin-3-ylmethyl)-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 631367
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(C(=O)c2cscc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cscc1)Cc1cccnc1
• InChI: InChI=1S/C19H21N3O2S/c23-17(16-4-10-25-13-16)22-9-6-19(14-22)5-2-8-21(18(19)24)12-15-3-1-7-20-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2
• InChIKey: GAOOTYDXSFSZCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(pyridin-3-ylmethyl)-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(pyridin-3-ylmethyl)-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-pyridinylmethyl)-2-(3-thienylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4381154
• LogD (pH = 7.4): 1.5093802
• Log P: 1.5103899
• Molar Refractivity: 97.1042 cm^3
• Polarizability: 36.86407 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: 0.63
• LOG S: -3.18
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3