9-(Acetyloxy)-3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one - CAS 1117803-76-5
Catalog: |
BB075434 |
Product Name: |
9-(Acetyloxy)-3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
CAS: |
1117803-76-5 |
Synonyms: |
3-(2-chloroethyl)-2-methyl-4-oxo-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-9-yl acetate; 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-acetyloxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
IUPAC Name: | [3-(2-chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] acetate |
Molecular Weight: | 284.74 |
Molecular Formula: | C13H17ClN2O3 |
Canonical SMILES: | CC1=C(C(=O)N2CCCC(C2=N1)OC(=O)C)CCCl |
InChI: | InChI=1S/C13H17ClN2O3/c1-8-10(5-6-14)13(18)16-7-3-4-11(12(16)15-8)19-9(2)17/h11H,3-7H2,1-2H3 |
InChI Key: | AJKQHEMGZSWSJF-UHFFFAOYSA-N |
Complexity: | 471 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.0927701 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.0927701 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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