2-[2-(1H-1,3-benzodiazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 498382
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(CCn2cnc3c2cccc3)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)CCn1cnc2c1cccc2)CC1CCC1
• InChI: InChI=1S/C22H30N4O/c27-21-22(9-4-11-25(21)15-18-5-3-6-18)10-12-24(16-22)13-14-26-17-23-19-7-1-2-8-20(19)26/h1-2,7-8,17-18H,3-6,9-16H2
• InChIKey: RGOCGWPEUNGNIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1H-1,3-benzodiazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(1,3-benzodiazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[2-(1H-benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.94914424
• LogD (pH = 7.4): 0.22707568
• Log P: 2.6788795
• Molar Refractivity: 107.0402 cm^3
• Polarizability: 42.75375 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.39
• LOG S: -4.77
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5