2-(3-methoxypropyl)-8-[2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 531727
• Molecular Formular: C16H26N6O3
• Molecular Mass: 350.41604
• Monoisotopic Mass: 350.20663872
• SMILES: n1(nnnc1C)CC(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)Cn1nnnc1C
• InChI: InChI=1S/C16H26N6O3/c1-13-17-18-19-22(13)11-15(24)20-7-4-16(5-8-20)10-14(23)21(12-16)6-3-9-25-2/h3-12H2,1-2H3
• InChIKey: ZWRHGNBLSKPTEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-[2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-[2-(5-methyl-1,2,3,4-tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-[(5-methyl-1H-tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.9528728
• LogD (pH = 7.4): -1.9528718
• Log P: -1.9528718
• Molar Refractivity: 104.1455 cm^3
• Polarizability: 34.7033 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.01
• LOG S: -2.2
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 6