4-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

• ChemBase ID: 482694
• Molecular Formular: C18H15N3O3S
• Molecular Mass: 353.395
• Monoisotopic Mass: 353.08341236
• SMILES: N1(c2c(OCC1=O)cccn2)Cc1sc(nc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C18H15N3O3S/c1-23-13-5-2-4-12(8-13)18-20-9-14(25-18)10-21-16(22)11-24-15-6-3-7-19-17(15)21/h2-9H,10-11H2,1H3
• InChIKey: PDCKOOVGAJJZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
• IUPAC Traditional name: 4-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3-one
• Synonyms: 4-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3777874
• LogD (pH = 7.4): 2.3782632
• Log P: 2.3782694
• Molar Refractivity: 103.2675 cm^3
• Polarizability: 36.283604 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.62
• LOG S: -4.01
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4