7-methyl-2-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 706479
• Molecular Formular: C18H22N6O2
• Molecular Mass: 354.40628
• Monoisotopic Mass: 354.18042397
• SMILES: n1(nnnc1C)c1cc(C(=O)N2CC3(C(=O)N(CCC3)C)CC2)ccc1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1cccc(c1)n1nnnc1C
• InChI: InChI=1S/C18H22N6O2/c1-13-19-20-21-24(13)15-6-3-5-14(11-15)16(25)23-10-8-18(12-23)7-4-9-22(2)17(18)26/h3,5-6,11H,4,7-10,12H2,1-2H3
• InChIKey: AJOSIZLCBXVNCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[3-(5-methyl-1H-tetrazol-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.3836357
• LogD (pH = 7.4): 0.38363636
• Log P: 0.38363636
• Molar Refractivity: 98.9183 cm^3
• Polarizability: 36.609715 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.31
• LOG S: -2.83
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2