3-(3-methylbutyl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 859675
• Molecular Formular: C18H24N6O3
• Molecular Mass: 372.42156
• Monoisotopic Mass: 372.19098866
• SMILES: n12c(nnn1)ccc(C(=O)N1CCC3(OC(=O)N(C3)CCC(C)C)CC1)c2
• Canonical SMILES: CC(CCN1CC2(OC1=O)CCN(CC2)C(=O)c1ccc2n(c1)nnn2)C
• InChI: InChI=1S/C18H24N6O3/c1-13(2)5-8-23-12-18(27-17(23)26)6-9-22(10-7-18)16(25)14-3-4-15-19-20-21-24(15)11-14/h3-4,11,13H,5-10,12H2,1-2H3
• InChIKey: JXRDSYXIUSQXHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methylbutyl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-(3-methylbutyl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(3-methylbutyl)-8-(tetrazolo[1,5-a]pyridin-6-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3370783
• LogD (pH = 7.4): 1.3370785
• Log P: 1.3370785
• Molar Refractivity: 110.7113 cm^3
• Polarizability: 37.004406 Å^3
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.71
• LOG S: -2.52
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 4