6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

• ChemBase ID: 465310
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(c(=O)n2c(nc1)scc2)C(=O)N1C(c2cc(OC)ccc2)CCCC1
• Canonical SMILES: COc1cccc(c1)C1CCCCN1C(=O)c1cnc2n(c1=O)ccs2
• InChI: InChI=1S/C19H19N3O3S/c1-25-14-6-4-5-13(11-14)16-7-2-3-8-21(16)17(23)15-12-20-19-22(18(15)24)9-10-26-19/h4-6,9-12,16H,2-3,7-8H2,1H3
• InChIKey: GADPPTYGFMCYJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• IUPAC Traditional name: 6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• Synonyms: 6-{[2-(3-methoxyphenyl)-1-piperidinyl]carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5918012
• LogD (pH = 7.4): 2.5918014
• Log P: 2.5918014
• Molar Refractivity: 100.3932 cm^3
• Polarizability: 38.522118 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.42
• LOG S: -2.25
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3