7-(2-methoxyethyl)-2-[3-(pyrazin-2-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 699742
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)CCc2nccnc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)CCc1cnccn1
• InChI: InChI=1S/C18H26N4O3/c1-25-12-11-21-9-2-5-18(17(21)24)6-10-22(14-18)16(23)4-3-15-13-19-7-8-20-15/h7-8,13H,2-6,9-12,14H2,1H3
• InChIKey: KAVRYZWSDBVRND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[3-(pyrazin-2-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[3-(pyrazin-2-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[3-(2-pyrazinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.96052796
• LogD (pH = 7.4): -0.9605231
• Log P: -0.96052307
• Molar Refractivity: 92.501 cm^3
• Polarizability: 36.00627 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.47
• LOG S: -2.63
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 6