2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 699382
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: c1(CN2C(=O)CC3(C2)CCN(Cc2nccs2)CC3)c(onc1C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)noc1C)CCN(CC2)Cc1nccs1
• InChI: InChI=1S/C18H24N4O2S/c1-13-15(14(2)24-20-13)10-22-12-18(9-17(22)23)3-6-21(7-4-18)11-16-19-5-8-25-16/h5,8H,3-4,6-7,9-12H2,1-2H3
• InChIKey: ATHDXGLPEOKFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2781678
• LogD (pH = 7.4): 0.25891578
• Log P: 0.5065265
• Molar Refractivity: 97.493 cm^3
• Polarizability: 36.94119 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.75
• LOG S: -3.32
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4