2-(3-methoxypropyl)-8-(2-propyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 689844
• Molecular Formular: C19H29N3O3S
• Molecular Mass: 379.51686
• Monoisotopic Mass: 379.1929628
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC2(CC1)CC(=O)N(C2)CCCOC
• InChI: InChI=1S/C19H29N3O3S/c1-3-5-16-20-15(13-26-16)18(24)21-9-6-19(7-10-21)12-17(23)22(14-19)8-4-11-25-2/h13H,3-12,14H2,1-2H3
• InChIKey: VSUKVDGTJIJYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(2-propyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(2-propyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0370069
• LogD (pH = 7.4): 1.0370095
• Log P: 1.0370095
• Molar Refractivity: 101.9048 cm^3
• Polarizability: 38.993977 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.58
• LOG S: -2.46
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7