Ethyl 4-[2-(4-Chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate - CAS 931728-33-5
Catalog: |
BB040797 |
Product Name: |
Ethyl 4-[2-(4-Chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate |
CAS: |
931728-33-5 |
Synonyms: |
4-[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-piperazinecarboxylic acid ethyl ester; ethyl 4-[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate |
IUPAC Name: | ethyl 4-[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate |
Description: | Ethyl 4-[2-(4-Chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate (CAS# 931728-33-5 ) is a useful research chemical. |
Molecular Weight: | 400.86 |
Molecular Formula: | C19H21ClN6O2 |
Canonical SMILES: | CCOC(=O)N1CCN(CC1)C2=CC(=NC3=NC(=NN23)C4=CC=C(C=C4)Cl)C |
InChI: | InChI=1S/C19H21ClN6O2/c1-3-28-19(27)25-10-8-24(9-11-25)16-12-13(2)21-18-22-17(23-26(16)18)14-4-6-15(20)7-5-14/h4-7,12H,3,8-11H2,1-2H3 |
InChI Key: | KFWSZWLQTQAFDK-UHFFFAOYSA-N |
Complexity: | 539 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 400.1414516 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 400.1414516 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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