Methyl 3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylate - CAS 142166-01-6
Catalog: |
BB009315 |
Product Name: |
Methyl 3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylate |
CAS: |
142166-01-6 |
Synonyms: |
3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid methyl ester; methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate |
IUPAC Name: | methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate |
Description: | Methyl 3,4-Dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS# 142166-01-6) is a useful research chemical. |
Molecular Weight: | 193.20 |
Molecular Formula: | C10H11NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)NCCO2 |
InChI: | InChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3 |
InChI Key: | QHAIQLAFSPRIGM-UHFFFAOYSA-N |
MDL: | MFCD11848180 |
LogP: | 1.41550 |
Publication Number | Title | Priority Date |
WO-2021161230-A1 | Small molecule sting antagonists | 20200212 |
CN-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 20191231 |
WO-2021136339-A1 | Amide compound with bicyclic structure and use thereof in drug | 20191231 |
EP-3558992-A1 | Activator of trek (twik related k+ channels) channels | 20161215 |
JP-2020506878-A | Activator of TREK (TWIK related K channel) channel | 20161215 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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