3-hexyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 838556
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CCC2(OC(=O)N(C2)CCCCCC)CC1
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C21H28N4O3/c1-2-3-4-6-11-24-16-21(28-20(24)27)9-13-23(14-10-21)19(26)17-15-22-18-8-5-7-12-25(17)18/h5,7-8,12,15H,2-4,6,9-11,13-14,16H2,1H3
• InChIKey: SFGJETLBSHLTSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hexyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-hexyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-hexyl-8-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7339716
• LogD (pH = 7.4): 1.8146607
• Log P: 1.8158147
• Molar Refractivity: 107.0278 cm^3
• Polarizability: 40.532967 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.15
• LOG S: -4.69
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 6