Methyl 4-Morpholino-2-(trifluoroacetamido)benzoate - CAS 404010-73-7
Catalog: |
BB024486 |
Product Name: |
Methyl 4-Morpholino-2-(trifluoroacetamido)benzoate |
CAS: |
404010-73-7 |
Synonyms: |
4-(4-morpholinyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid methyl ester; methyl 4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzoate |
IUPAC Name: | methyl 4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzoate |
Description: | Methyl 4-Morpholino-2-(trifluoroacetamido)benzoate (CAS# 404010-73-7 ) is a useful research chemical. |
Molecular Weight: | 332.28 |
Molecular Formula: | C14H15F3N2O4 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)N2CCOCC2)NC(=O)C(F)(F)F |
InChI: | InChI=1S/C14H15F3N2O4/c1-22-12(20)10-3-2-9(19-4-6-23-7-5-19)8-11(10)18-13(21)14(15,16)17/h2-3,8H,4-7H2,1H3,(H,18,21) |
InChI Key: | CXMIMBXJUCZUCQ-UHFFFAOYSA-N |
LogP: | 2.52510 |
Publication Number | Title | Priority Date |
EP-1351946-A2 | Materials and methods to potentiate cancer treatment | 20000901 |
US-2002165218-A1 | Materials and methods to potentiate cancer treatment | 20000901 |
US-2008090782-A1 | Materials and methods to potentiate cancer treatment | 20000901 |
US-7179912-B2 | Materials and methods to potentiate cancer treatment | 20000901 |
US-8242115-B2 | Materials and methods to potentiate cancer treatment | 20000901 |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.09839145 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.09839145 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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