7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid - CAS 1174039-46-3
Catalog: |
BB003937 |
Product Name: |
7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid |
CAS: |
1174039-46-3 |
Synonyms: |
7-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid; 7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid |
IUPAC Name: | 7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid |
Description: | 7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid (CAS# 1174039-46-3 ) is a useful research chemical. |
Molecular Weight: | 335.28 |
Molecular Formula: | C13H16F3N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C(=C(N=C2C(F)(F)F)C(=O)O)C1 |
InChI: | InChI=1S/C13H16F3N3O4/c1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16/h4-6H2,1-3H3,(H,20,21) |
InChI Key: | VWOYKROCGXYUOW-UHFFFAOYSA-N |
LogP: | 2.28870 |
Publication Number | Title | Priority Date |
TW-201305171-A | Phthalazinone derivatives, preparation process and pharmaceutical use thereof | 20110726 |
TW-I548637-B | Phthalazinone derivatives, preparation process and pharmaceutical use thereof | 20110726 |
AU-2011288876-A1 | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | 20100809 |
AU-2011288876-A2 | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | 20100809 |
AU-2011288876-B2 | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | 20100809 |
Complexity: | 492 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.10929049 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.10929049 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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