7-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 861770
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: C12(C(=O)NC(=O)C1)CN(Cc1cc(OCCN3CCOCC3)ccc1)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C20H27N3O4/c24-18-13-20(19(25)21-18)4-5-23(15-20)14-16-2-1-3-17(12-16)27-11-8-22-6-9-26-10-7-22/h1-3,12H,4-11,13-15H2,(H,21,24,25)
• InChIKey: HIIBDGLJOBGJSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-[3-(2-morpholin-4-ylethoxy)benzyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.215464
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -4.0392513
• LogD (pH = 7.4): -1.4359224
• Log P: 0.087863624
• Molar Refractivity: 101.2962 cm^3
• Polarizability: 39.640266 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.26
• LOG S: -3.42
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6