8-(1,5-dimethyl-1H-indazole-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 371642
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(nn(c2c1cc(cc2)C)C)C(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: Cc1ccc2c(c1)c(nn2C)C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C18H23N3O2/c1-13-4-5-15-14(12-13)16(19-20(15)2)17(22)21-9-7-18(8-10-21)6-3-11-23-18/h4-5,12H,3,6-11H2,1-2H3
• InChIKey: MRKLARANWGZAHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,5-dimethyl-1H-indazole-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-(1,5-dimethylindazole-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-[(1,5-dimethyl-1H-indazol-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9079999
• LogD (pH = 7.4): 1.9080001
• Log P: 1.9080002
• Molar Refractivity: 100.7362 cm^3
• Polarizability: 34.97433 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.02
• LOG S: -2.36
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 1