1-(furan-2-yl)-2-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-2-yl)ethane-1,2-dione

• ChemBase ID: 863605
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C(=O)(C(=O)c1occc1)N1CC2(CN(Cc3ccc(cc3)C(C)C)CCC2)CC1
• Canonical SMILES: O=C(C(=O)c1ccco1)N1CCC2(C1)CCCN(C2)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C24H30N2O3/c1-18(2)20-8-6-19(7-9-20)15-25-12-4-10-24(16-25)11-13-26(17-24)23(28)22(27)21-5-3-14-29-21/h3,5-9,14,18H,4,10-13,15-17H2,1-2H3
• InChIKey: UBOBQBHCXMYZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-2-yl)ethane-1,2-dione
• IUPAC Traditional name: 1-(furan-2-yl)-2-{7-[(4-isopropylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}ethane-1,2-dione
• Synonyms: 1-(2-furyl)-2-[7-(4-isopropylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0332941
• LogD (pH = 7.4): 2.8069198
• Log P: 3.708408
• Molar Refractivity: 113.8472 cm^3
• Polarizability: 43.819504 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.97
• LOG S: -4.39
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 4