8-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 679531
• Molecular Formular: C16H18ClN5O3
• Molecular Mass: 363.79882
• Monoisotopic Mass: 363.10981714
• SMILES: c1(nc2n(c1)cc(cn2)Cl)C(=O)N1CCC2(OC(=O)N(C2)CC)CC1
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1nc2n(c1)cc(cn2)Cl
• InChI: InChI=1S/C16H18ClN5O3/c1-2-20-10-16(25-15(20)24)3-5-21(6-4-16)13(23)12-9-22-8-11(17)7-18-14(22)19-12/h7-9H,2-6,10H2,1H3
• InChIKey: PCSUNBLZJLFZAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(6-chloroimidazo[1,2-a]pyrimidin-2-yl)carbonyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.07721949
• LogD (pH = 7.4): 0.07722558
• Log P: 0.077225655
• Molar Refractivity: 92.1093 cm^3
• Polarizability: 34.319344 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.76
• LOG S: -2.5
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 2