7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine - CAS 1059735-34-0
Catalog: |
BB073931 |
Product Name: |
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine |
CAS: |
1059735-34-0 |
Synonyms: |
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine; 7-benzyl-2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine; 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine |
IUPAC Name: | 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine |
Molecular Weight: | 294.17 |
Molecular Formula: | C14H13N3Cl2 |
Canonical SMILES: | C1CN(CC2=C1C(=NC(=N2)Cl)Cl)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H13Cl2N3/c15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13/h1-5H,6-9H2 |
InChI Key: | CTNDGYOJDNSZMQ-UHFFFAOYSA-N |
References: | Chen, S., et al. PCT Int. Appl., (2021). |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.0486528 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.0486528 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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