2-(6-phenylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 432712
• Molecular Formular: C18H22N4
• Molecular Mass: 294.39408
• Monoisotopic Mass: 294.18444672
• SMILES: N1(c2nnc(cc2)c2ccccc2)CC2(CC1)CCNCC2
• Canonical SMILES: N1CCC2(CC1)CCN(C2)c1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C18H22N4/c1-2-4-15(5-3-1)16-6-7-17(21-20-16)22-13-10-18(14-22)8-11-19-12-9-18/h1-7,19H,8-14H2
• InChIKey: DSCGIDOEZIRAAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-phenylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(6-phenylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(6-phenylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7163209
• LogD (pH = 7.4): -0.23499325
• Log P: 2.5202074
• Molar Refractivity: 90.9116 cm^3
• Polarizability: 35.48824 Å^3
• Polar Surface Area: 41.05 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1
• Log P: 2.12
• LOG S: -2.15
• Polar Surface Area: 41.05 Å^2