2-((4-Benzylphenoxy)methyl)pyrido[3,4-d]pyrimidin-4(3H)-one - CAS 1797982-47-8
Catalog: |
BB073475 |
Product Name: |
2-((4-Benzylphenoxy)methyl)pyrido[3,4-d]pyrimidin-4(3H)-one |
CAS: |
1797982-47-8 |
Synonyms: |
2-((4-Benzylphenoxy)methyl)pyrido[3,4-d]pyrimidin-4(3H)-one; 2-[(4-benzylphenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one |
IUPAC Name: | 2-[(4-benzylphenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one |
Molecular Weight: | 343.38 |
Molecular Formula: | C21H17N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC3=NC4=C(C=CN=C4)C(=O)N3 |
InChI: | InChI=1S/C21H17N3O2/c25-21-18-10-11-22-13-19(18)23-20(24-21)14-26-17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,24,25) |
InChI Key: | PCCLYQSIGXLLDE-UHFFFAOYSA-N |
Complexity: | 507 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.132076794 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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