Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate - CAS 1370411-44-1
Catalog: |
BB073710 |
Product Name: |
Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate |
CAS: |
1370411-44-1 |
Synonyms: |
Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate; benzyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate; 7-Cbz-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine; Benzyl 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate |
IUPAC Name: | benzyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate |
Molecular Weight: | 338.19 |
Molecular Formula: | C15H13Cl2N3O2 |
Canonical SMILES: | C1CN(CC2=C1C(=NC(=N2)Cl)Cl)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C15H13Cl2N3O2/c16-13-11-6-7-20(8-12(11)18-14(17)19-13)15(21)22-9-10-4-2-1-3-5-10/h1-5H,6-9H2 |
InChI Key: | XLMNHZAOTDBGMV-UHFFFAOYSA-N |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.0384821 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.0384821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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