2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 682600
• Molecular Formular: C15H24N4O2S
• Molecular Mass: 324.44166
• Monoisotopic Mass: 324.16199703
• SMILES: c1(sc(nn1)CC)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1nnc(s1)CC
• InChI: InChI=1S/C15H24N4O2S/c1-3-12-16-17-14(22-12)19-8-6-15(11-19)5-4-7-18(13(15)20)9-10-21-2/h3-11H2,1-2H3
• InChIKey: ZPKCPJWTKFSZOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2691009
• LogD (pH = 7.4): 1.2691196
• Log P: 1.2691199
• Molar Refractivity: 88.0151 cm^3
• Polarizability: 32.747204 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.51
• LOG S: -2.0
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5