Dimethyl 4,4'-Azanediyldibenzoate - CAS 17104-81-3
Catalog: |
BB012703 |
Product Name: |
Dimethyl 4,4'-Azanediyldibenzoate |
CAS: |
17104-81-3 |
Synonyms: |
4-(4-methoxycarbonylanilino)benzoic acid methyl ester; methyl 4-(4-methoxycarbonylanilino)benzoate |
IUPAC Name: | methyl 4-(4-methoxycarbonylanilino)benzoate |
Description: | Dimethyl 4,4'-Azanediyldibenzoate (CAS# 17104-81-3 ) is a useful research chemical. |
Molecular Weight: | 285.29 |
Molecular Formula: | C16H15NO4 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)OC |
InChI: | InChI=1S/C16H15NO4/c1-20-15(18)11-3-7-13(8-4-11)17-14-9-5-12(6-10-14)16(19)21-2/h3-10,17H,1-2H3 |
InChI Key: | HJHRQHYHHLVOST-UHFFFAOYSA-N |
LogP: | 3.07640 |
Publication Number | Title | Priority Date |
US-2009115316-A1 | Organic electroluminescent device having an azatriphenylene derivative | 20071102 |
US-7914908-B2 | Organic electroluminescent device having an azatriphenylene derivative | 20071102 |
DE-102004036213-A1 | Non-glycosidic and non-peptide selectin inhibitors and their use | 20040726 |
DE-102004036213-B4 | Non-glycosidic and non-peptide selectin inhibitors, their preparation and pharmaceutical compositions | 20040726 |
EP-1778625-A1 | Non-glycosidic and non-peptidic select inhibitors, and the use thereof | 20040726 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.10010796 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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