Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate - CAS 1869118-24-0
Catalog: |
BB054163 |
Product Name: |
Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate |
CAS: |
1869118-24-0 |
Synonyms: |
N-[5-[(4-Methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid ethyl ester; Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester; ethyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate; Ethyl (5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)carbamate |
IUPAC Name: | ethyl N-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate |
Molecular Weight: | 360.39 |
Molecular Formula: | C16H16N4O4S |
Canonical SMILES: | CCOC(=O)NC1=CN=C2C(=N1)C=CN2S(=O)(=O)C3=CC=C(C=C3)C |
InChI: | InChI=1S/C16H16N4O4S/c1-3-24-16(21)19-14-10-17-15-13(18-14)8-9-20(15)25(22,23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,19,21) |
InChI Key: | NROPCWMCOWTXAZ-UHFFFAOYSA-N |
Purity: | ≥95% |
Density: | 1.43±0.1 g/cm3 (Predicted) |
Storage: | Store at RT under inert atmosphere |
Complexity: | 571 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.08922618 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.08922618 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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