7-(cyclobutylmethyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 491815
• Molecular Formular: C21H32N2O
• Molecular Mass: 328.49158
• Monoisotopic Mass: 328.25146365
• SMILES: N1(CC2(CN(CC3CCC3)CCC2)CC1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1CCC2(C1)CCCN(C2)CC1CCC1
• InChI: InChI=1S/C21H32N2O/c1-24-20-8-6-19(7-9-20)15-23-13-11-21(17-23)10-3-12-22(16-21)14-18-4-2-5-18/h6-9,18H,2-5,10-17H2,1H3
• InChIKey: PMDSZRWYODIVQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclobutylmethyl)-2-(4-methoxybenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9932617
• LogD (pH = 7.4): 0.18775241
• Log P: 3.5298996
• Molar Refractivity: 100.3885 cm^3
• Polarizability: 39.525322 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.34
• LOG S: -1.91
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4