3-(3-methylbutyl)-8-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 403666
• Molecular Formular: C19H29N3O3S
• Molecular Mass: 379.51686
• Monoisotopic Mass: 379.1929628
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCC2(OC(=O)N(C2)CCC(C)C)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC2(CC1)OC(=O)N(C2)CCC(C)C
• InChI: InChI=1S/C19H29N3O3S/c1-4-5-16-20-15(12-26-16)17(23)21-10-7-19(8-11-21)13-22(18(24)25-19)9-6-14(2)3/h12,14H,4-11,13H2,1-3H3
• InChIKey: SQJYOVAAVOPIFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8202019
• LogD (pH = 7.4): 2.820204
• Log P: 2.820204
• Molar Refractivity: 101.1235 cm^3
• Polarizability: 38.993977 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: 2.56
• LOG S: -4.15
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6