2-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 717570
• Molecular Formular: C15H21N3O3S
• Molecular Mass: 323.41054
• Monoisotopic Mass: 323.13036255
• SMILES: c1(C(=O)N2CC3(C(=O)N(CCC3)C)CC2)c(nc(s1)OC)C
• Canonical SMILES: COc1nc(c(s1)C(=O)N1CCC2(C1)CCCN(C2=O)C)C
• InChI: InChI=1S/C15H21N3O3S/c1-10-11(22-14(16-10)21-3)12(19)18-8-6-15(9-18)5-4-7-17(2)13(15)20/h4-9H2,1-3H3
• InChIKey: DBNNNBCAYQSEGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6723281
• LogD (pH = 7.4): 0.6723284
• Log P: 0.6723284
• Molar Refractivity: 83.0632 cm^3
• Polarizability: 31.678188 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.05
• LOG S: -2.83
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2