N-[2-(5-Methoxy-2-thienyl)ethyl]formamide - CAS 854701-03-4
Catalog: |
BB060026 |
Product Name: |
N-[2-(5-Methoxy-2-thienyl)ethyl]formamide |
CAS: |
854701-03-4 |
Synonyms: |
N-(2-(5-Methoxythiophen-2-yl)ethyl)formamide |
IUPAC Name: | N-[2-(5-methoxythiophen-2-yl)ethyl]formamide |
Description: | N-[2-(5-Methoxy-2-thienyl)ethyl]formamide is an intermediate in the synthesis of Prasugrel (P701150, HCl) related compounds; an antiplatelet agent. |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | COC1=CC=C(S1)CCNC=O |
InChI: | InChI=1S/C8H11NO2S/c1-11-8-3-2-7(12-8)4-5-9-6-10/h2-3,6H,4-5H2,1H3,(H,9,10) |
InChI Key: | OXQAUDQWOFTIBW-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Oil |
References: | Herz, W., et al. J. Am. Chem. Soc., 77, 3529 (1955). |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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