1-{3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl}imidazolidin-2-one

• ChemBase ID: 759170
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C12([C@@H](C[C@@H]1OC)O)CCN(C(=O)c1cc(N3C(=O)NCC3)ccc1)CC2
• Canonical SMILES: CO[C@H]1C[C@H](C21CCN(CC2)C(=O)c1cccc(c1)N1CCNC1=O)O
• InChI: InChI=1S/C19H25N3O4/c1-26-16-12-15(23)19(16)5-8-21(9-6-19)17(24)13-3-2-4-14(11-13)22-10-7-20-18(22)25/h2-4,11,15-16,23H,5-10,12H2,1H3,(H,20,25)/t15-,16+/m1/s1
• InChIKey: IXDDXHSEBDAUDY-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl}imidazolidin-2-one
• Synonyms: 1-(3-{[(1R*,3S*)-1-hydroxy-3-methoxy-7-azaspiro[3.5]non-7-yl]carbonyl}phenyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.63068
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3813944
• LogD (pH = 7.4): -0.3813943
• Log P: -0.38139427
• Molar Refractivity: 96.2162 cm^3
• Polarizability: 36.76791 Å^3
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.42
• LOG S: -1.92
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 3