7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 865589
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(c2nccnc2C)CC2(CN(Cc3c(c(OC)ccc3)OC)CCC2)CC1
• Canonical SMILES: COc1c(cccc1OC)CN1CCCC2(C1)CCN(C2)c1nccnc1C
• InChI: InChI=1S/C22H30N4O2/c1-17-21(24-11-10-23-17)26-13-9-22(16-26)8-5-12-25(15-22)14-18-6-4-7-19(27-2)20(18)28-3/h4,6-7,10-11H,5,8-9,12-16H2,1-3H3
• InChIKey: FEHBRMXKDLOSQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-dimethoxybenzyl)-2-(3-methyl-2-pyrazinyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.19888847
• LogD (pH = 7.4): 1.5711291
• Log P: 2.3286855
• Molar Refractivity: 111.3984 cm^3
• Polarizability: 42.710773 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.76
• LOG S: -3.34
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 5