7-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 518289
• Molecular Formular: C14H14ClN5O3
• Molecular Mass: 335.74566
• Monoisotopic Mass: 335.07851701
• SMILES: c1(nc2n(c1)cc(cn2)Cl)C(=O)N1CC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: Clc1cnc2n(c1)cc(n2)C(=O)N1CCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C14H14ClN5O3/c1-18-7-14(23-13(18)22)2-3-19(8-14)11(21)10-6-20-5-9(15)4-16-12(20)17-10/h4-6H,2-3,7-8H2,1H3
• InChIKey: CKFAUVHXSXWNTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 7-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-[(6-chloroimidazo[1,2-a]pyrimidin-2-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3395482
• LogD (pH = 7.4): -0.33954212
• Log P: -0.33954203
• Molar Refractivity: 82.4953 cm^3
• Polarizability: 30.679054 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.5
• LOG S: -2.53
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1