2-ethyl-8-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 840845
• Molecular Formular: C15H24N4OS
• Molecular Mass: 308.44226
• Monoisotopic Mass: 308.16708241
• SMILES: c1(sc(nn1)CC)N1CC2(CN(C(=O)CC2)CC)CCC1
• Canonical SMILES: CCc1nnc(s1)N1CCCC2(C1)CCC(=O)N(C2)CC
• InChI: InChI=1S/C15H24N4OS/c1-3-12-16-17-14(21-12)19-9-5-7-15(11-19)8-6-13(20)18(4-2)10-15/h3-11H2,1-2H3
• InChIKey: NORHYKUDDVHPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-8-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-ethyl-8-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-ethyl-8-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7614261
• LogD (pH = 7.4): 1.7614448
• Log P: 1.761445
• Molar Refractivity: 86.1154 cm^3
• Polarizability: 32.01907 Å^3
• Polar Surface Area: 49.33 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: 1.29
• LOG S: -2.55
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3