7-(cyclobutylmethyl)-2-[2-(1H-1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 697501
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)Cn2ncnc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CCC1)Cn1cncn1
• InChI: InChI=1S/C17H25N5O2/c23-15(10-22-13-18-12-19-22)21-8-6-17(11-21)5-2-7-20(16(17)24)9-14-3-1-4-14/h12-14H,1-11H2
• InChIKey: VHZLSQZEZLBJMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[2-(1H-1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-1-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.0098281065
• LogD (pH = 7.4): 0.010031445
• Log P: 0.010034038
• Molar Refractivity: 100.9916 cm^3
• Polarizability: 34.155422 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.32
• LOG S: -3.2
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 4