Ethyl 1-Benzyl-5-oxoazepane-4-carboxylate - CAS 19673-12-2
Catalog: |
BB015207 |
Product Name: |
Ethyl 1-Benzyl-5-oxoazepane-4-carboxylate |
CAS: |
19673-12-2 |
Synonyms: |
5-oxo-1-(phenylmethyl)-4-azepanecarboxylic acid ethyl ester; ethyl 1-benzyl-5-oxoazepane-4-carboxylate |
IUPAC Name: | ethyl 1-benzyl-5-oxoazepane-4-carboxylate |
Description: | Ethyl 1-Benzyl-5-oxoazepane-4-carboxylate (CAS# 19673-12-2) is a useful research chemical. |
Molecular Weight: | 275.34 |
Molecular Formula: | C16H21NO3 |
Canonical SMILES: | CCOC(=O)C1CCN(CCC1=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H21NO3/c1-2-20-16(19)14-8-10-17(11-9-15(14)18)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
InChI Key: | YYCFGTMTPVIMLW-UHFFFAOYSA-N |
LogP: | 1.96870 |
Publication Number | Title | Priority Date |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
JP-2013032290-A | New condensed pyrimidine derivatives | 20091120 |
AU-2009276339-A1 | Pyrimidine compounds, compositions and methods of use | 20080731 |
AU-2009276339-B2 | Pyrimidine compounds, compositions and methods of use | 20080731 |
CA-2729045-A1 | Pyrimidine compounds, compositions and methods of use | 20080731 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.15214353 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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