8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 553001
• Molecular Formular: C18H25N3O3S
• Molecular Mass: 363.4744
• Monoisotopic Mass: 363.16166268
• SMILES: c1(nc(sc1)C)C(=O)N1CCC2(CN(C(=O)C2)CC2OCCC2)CC1
• Canonical SMILES: O=C1CC2(CN1CC1CCCO1)CCN(CC2)C(=O)c1csc(n1)C
• InChI: InChI=1S/C18H25N3O3S/c1-13-19-15(11-25-13)17(23)20-6-4-18(5-7-20)9-16(22)21(12-18)10-14-3-2-8-24-14/h11,14H,2-10,12H2,1H3
• InChIKey: SFITYLHMCDKLTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-(tetrahydro-2-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 0
• Log P: -0.7
• LOG S: -2.56

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.29750642
• LogD (pH = 7.4): 0.29750973
• Log P: 0.2975098
• Molar Refractivity: 95.0227 cm^3
• Polarizability: 36.44855 Å^3
• Polar Surface Area: 62.74 Å^2