2-(2-chloropyridine-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 619208
• Molecular Formular: C23H28ClN3O
• Molecular Mass: 397.94092
• Monoisotopic Mass: 397.19209021
• SMILES: N1(C(=O)c2cc(ncc2)Cl)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: Clc1nccc(c1)C(=O)N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C23H28ClN3O/c24-21-16-20(9-12-25-21)22(28)27-15-11-23(18-27)10-5-14-26(17-23)13-4-8-19-6-2-1-3-7-19/h1-3,6-7,9,12,16H,4-5,8,10-11,13-15,17-18H2
• InChIKey: MJLJVPWGGAIQCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloropyridine-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(2-chloropyridine-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2-chloroisonicotinoyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.52755505
• LogD (pH = 7.4): 1.891733
• Log P: 3.883273
• Molar Refractivity: 115.3892 cm^3
• Polarizability: 44.03652 Å^3
• Polar Surface Area: 36.44 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: 3.73
• LOG S: -4.97
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5