N-[1-[3-(2-Ethoxyphenyl)-2,5-dihydro-5-oxo-1,2,4-triazin-6-yl]ethyl]acetamide - CAS 1417529-59-9
Catalog: |
BB066078 |
Product Name: |
N-[1-[3-(2-Ethoxyphenyl)-2,5-dihydro-5-oxo-1,2,4-triazin-6-yl]ethyl]acetamide |
CAS: |
1417529-59-9 |
Synonyms: |
N-(1-(3-(2-Ethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)ethyl)acetamide |
IUPAC Name: | N-[1-[3-(2-ethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]ethyl]acetamide |
Description: | N-[1-[3-(2-Ethoxyphenyl)-2,5-dihydro-5-oxo-1,2,4-triazin-6-yl]ethyl]acetamide is an intermediate in the synthesis of Vardenafil (V098001) related compounds. |
Molecular Weight: | 302.33 |
Molecular Formula: | C15H18N4O3 |
Canonical SMILES: | CCOC1=CC=CC=C1C2=NN=C(C(=O)N2)C(C)NC(=O)C |
InChI: | InChI=1S/C15H18N4O3/c1-4-22-12-8-6-5-7-11(12)14-17-15(21)13(18-19-14)9(2)16-10(3)20/h5-9H,4H2,1-3H3,(H,16,20)(H,17,19,21) |
InChI Key: | SQTZNAQQRVVHEU-UHFFFAOYSA-N |
Melting Point: | 193-195°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | -20°C |
References: | Olszewska, T., et al. Tetahedron., 69, 474 (2013). |
Complexity: | 501 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.13789045 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.13789045 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 92.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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