3-methyl-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 628633
• Molecular Formular: C15H21N3O3S
• Molecular Mass: 323.41054
• Monoisotopic Mass: 323.13036255
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CCc1c(ncs1)C)CC2)C
• Canonical SMILES: O=C(N1CCC2(CC1)OC(=O)N(C2)C)CCc1scnc1C
• InChI: InChI=1S/C15H21N3O3S/c1-11-12(22-10-16-11)3-4-13(19)18-7-5-15(6-8-18)9-17(2)14(20)21-15/h10H,3-9H2,1-2H3
• InChIKey: URKOIELIEWSIKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.24347661
• LogD (pH = 7.4): 0.24380583
• Log P: 0.24381003
• Molar Refractivity: 82.5867 cm^3
• Polarizability: 31.86622 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.87
• LOG S: -2.3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3