4-(Methylsulfonyl)-2-morpholinobenzoic Acid - CAS 1197193-34-2
Catalog: |
BB004608 |
Product Name: |
4-(Methylsulfonyl)-2-morpholinobenzoic Acid |
CAS: |
1197193-34-2 |
Synonyms: |
4-methylsulfonyl-2-(4-morpholinyl)benzoic acid; 4-methylsulfonyl-2-morpholin-4-ylbenzoic acid |
IUPAC Name: | 4-methylsulfonyl-2-morpholin-4-ylbenzoic acid |
Description: | 4-(Methylsulfonyl)-2-morpholinobenzoic Acid (CAS# 1197193-34-2) is a useful research chemical. |
Molecular Weight: | 285.32 |
Molecular Formula: | C12H15NO5S |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)N2CCOCC2 |
InChI: | InChI=1S/C12H15NO5S/c1-19(16,17)9-2-3-10(12(14)15)11(8-9)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15) |
InChI Key: | IJHCLZVPIKNHAT-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.77070 |
Publication Number | Title | Priority Date |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
US-2019192535-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
WO-2019067864-A1 | PHARMACEUTICAL AGENTS IN COMBINATION AS INHIBITORS OF RSV | 20170929 |
BR-112020006334-A2 | combination of pharmaceutical agents as rsv inhibitors | 20170929 |
CN-111386118-A | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.06709375 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.06709375 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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