2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 581678
• Molecular Formular: C18H27N3O3S
• Molecular Mass: 365.49028
• Monoisotopic Mass: 365.17731274
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)Cc1nc(sc1)C)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)Cc1csc(n1)C
• InChI: InChI=1S/C18H27N3O3S/c1-14-19-15(12-25-14)10-16(22)20-7-4-18(5-8-20)11-17(23)21(13-18)6-3-9-24-2/h12H,3-11,13H2,1-2H3
• InChIKey: YVNHSODLDDTQHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.12928735
• LogD (pH = 7.4): -0.12794675
• Log P: -0.12792963
• Molar Refractivity: 96.7283 cm^3
• Polarizability: 37.355312 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.52
• LOG S: -2.31
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6