7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 356756
• Molecular Formular: C17H26N4O3S
• Molecular Mass: 366.47834
• Monoisotopic Mass: 366.17256171
• SMILES: S(=O)(=O)(c1n(ncc1)CC)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: CCn1nccc1S(=O)(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C17H26N4O3S/c1-2-21-15(6-9-18-21)25(23,24)20-11-8-17(13-20)7-3-10-19(16(17)22)12-14-4-5-14/h6,9,14H,2-5,7-8,10-13H2,1H3
• InChIKey: WDPZBUKFJMWCLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(2-ethylpyrazol-3-ylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.63307047
• LogD (pH = 7.4): 0.633074
• Log P: 0.63307405
• Molar Refractivity: 105.4695 cm^3
• Polarizability: 37.214355 Å^3
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.81
• LOG S: -2.56
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 4