N-(2-methoxyethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 849977
• Molecular Formular: C16H18N4O4S
• Molecular Mass: 362.40352
• Monoisotopic Mass: 362.10487608
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)CN1C(=O)COc2c1nccc2)Cc1nccs1
• InChI: InChI=1S/C16H18N4O4S/c1-23-7-6-19(9-13-17-5-8-25-13)14(21)10-20-15(22)11-24-12-3-2-4-18-16(12)20/h2-5,8H,6-7,9-11H2,1H3
• InChIKey: LGFXEUKRBOWNDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.13044
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.4771399
• LogD (pH = 7.4): -0.47669095
• Log P: -0.47668523
• Molar Refractivity: 89.9893 cm^3
• Polarizability: 34.717937 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.84
• LOG S: -2.56
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 7