7-(cyclopropylmethyl)-2-[4-(furan-2-yl)benzoyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 573412
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(C(=O)c2ccc(c3occc3)cc2)CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccco1)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C23H28N2O2/c26-22(20-8-6-19(7-9-20)21-3-1-14-27-21)25-13-11-23(17-25)10-2-12-24(16-23)15-18-4-5-18/h1,3,6-9,14,18H,2,4-5,10-13,15-17H2
• InChIKey: LHWSQZOFFJCCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[4-(furan-2-yl)benzoyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[4-(furan-2-yl)benzoyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-[4-(2-furyl)benzoyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.09128629
• LogD (pH = 7.4): 1.1506402
• Log P: 3.3070698
• Molar Refractivity: 107.1805 cm^3
• Polarizability: 42.435246 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.85
• LOG S: -5.1
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4