2-(2-methoxypyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 563733
• Molecular Formular: C23H30N4O2
• Molecular Mass: 394.5099
• Monoisotopic Mass: 394.23687622
• SMILES: N1(C(=O)c2cnc(nc2)OC)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: COc1ncc(cn1)C(=O)N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C23H30N4O2/c1-29-22-24-15-20(16-25-22)21(28)27-14-11-23(18-27)10-6-13-26(17-23)12-5-9-19-7-3-2-4-8-19/h2-4,7-8,15-16H,5-6,9-14,17-18H2,1H3
• InChIKey: UPPUSNIFWOUXSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxypyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(2-methoxypyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(2-methoxy-5-pyrimidinyl)carbonyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.47601315
• LogD (pH = 7.4): 0.90062696
• Log P: 2.874328
• Molar Refractivity: 114.7535 cm^3
• Polarizability: 43.745552 Å^3
• Polar Surface Area: 58.56 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: 2.94
• LOG S: -3.85
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5