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

• ChemBase ID: 561879
• Molecular Formular: C16H26N4O2S
• Molecular Mass: 338.46824
• Monoisotopic Mass: 338.17764709
• SMILES: c1(sc(nn1)C(C)C)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1nnc(s1)C(C)C
• InChI: InChI=1S/C16H26N4O2S/c1-12(2)13-17-18-15(23-13)20-8-6-16(11-20)5-4-7-19(14(16)21)9-10-22-3/h12H,4-11H2,1-3H3
• InChIKey: IXZSPWWIVYVDLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-isopropyl-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): 1.8120905
• LogD (pH = 7.4): 1.812106
• Log P: 1.8121061
• Molar Refractivity: 92.5896 cm^3
• Polarizability: 34.57775 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: 0.86
• LOG S: -2.4
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5