3-ethyl-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 819533
• Molecular Formular: C20H23N3O3S
• Molecular Mass: 385.47992
• Monoisotopic Mass: 385.14601261
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)Cc1nc(sc1)c1ccccc1)CC2)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C20H23N3O3S/c1-2-22-14-20(26-19(22)25)8-10-23(11-9-20)17(24)12-16-13-27-18(21-16)15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3
• InChIKey: XDALGVLMSVNTOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.302711
• LogD (pH = 7.4): 2.3028584
• Log P: 2.3028603
• Molar Refractivity: 112.9343 cm^3
• Polarizability: 40.304287 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.23
• LOG S: -4.77
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4