8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 859229
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c3c(non3)ccc1)CC2)C)C
• Canonical SMILES: CN1C(=O)N(C(=O)C21CCN(CC2)Cc1cccc2c1non2)C
• InChI: InChI=1S/C16H19N5O3/c1-19-14(22)16(20(2)15(19)23)6-8-21(9-7-16)10-11-4-3-5-12-13(11)18-24-17-12/h3-5H,6-10H2,1-2H3
• InChIKey: HHOCYYJBUDPYPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.6504476
• LogD (pH = 7.4): -0.92673486
• Log P: 0.32658073
• Molar Refractivity: 87.0198 cm^3
• Polarizability: 33.898895 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.42
• LOG S: -1.96
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2