2-Methoxy-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid - CAS 1956324-57-4
Catalog: |
BB015144 |
Product Name: |
2-Methoxy-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid |
CAS: |
1956324-57-4 |
Synonyms: |
2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid; 2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid |
IUPAC Name: | 2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid |
Description: | 2-Methoxy-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid (CAS# 1956324-57-4 ) is a useful research chemical. |
Molecular Weight: | 310.30 |
Molecular Formula: | C17H14N2O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32)C(=O)O |
InChI: | InChI=1S/C17H14N2O4/c1-23-15-7-6-10(8-13(15)17(21)22)9-14-11-4-2-3-5-12(11)16(20)19-18-14/h2-8H,9H2,1H3,(H,19,20)(H,21,22) |
InChI Key: | HHGBUAHYAWUOKO-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2016249437-A1 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
AU-2016249437-B2 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
CA-2983040-A1 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
CA-2983040-C | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
EP-3284743-A1 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
Complexity: | 505 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.09535693 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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