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

• ChemBase ID: 817510
• Molecular Formular: C19H21N3O3S
• Molecular Mass: 371.45334
• Monoisotopic Mass: 371.13036255
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ncsc1)CC2)CCc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCc1ccccc1)CCN(CC2)C(=O)c1cscn1
• InChI: InChI=1S/C19H21N3O3S/c23-17(16-12-26-14-20-16)21-10-7-19(8-11-21)13-22(18(24)25-19)9-6-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2
• InChIKey: FDZDGXAVECHKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9542506
• LogD (pH = 7.4): 1.954251
• Log P: 1.954251
• Molar Refractivity: 98.4003 cm^3
• Polarizability: 37.612026 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: 2.03
• LOG S: -3.64
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4