8-(dimethyl-1,3-thiazole-5-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 536250
• Molecular Formular: C19H29N3O3S
• Molecular Mass: 379.51686
• Monoisotopic Mass: 379.1929628
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CCCCCC)CC2)c(nc(s1)C)C
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1sc(nc1C)C
• InChI: InChI=1S/C19H29N3O3S/c1-4-5-6-7-10-22-13-19(25-18(22)24)8-11-21(12-9-19)17(23)16-14(2)20-15(3)26-16/h4-13H2,1-3H3
• InChIKey: XTDLBZRMUJTCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1550875
• LogD (pH = 7.4): 2.155176
• Log P: 2.155177
• Molar Refractivity: 101.2966 cm^3
• Polarizability: 38.917423 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: 2.68
• LOG S: -4.26
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6