Benzyl 1-Benzyl-1H-indazole-3-carboxylate - CAS 174180-54-2
Catalog: |
BB012989 |
Product Name: |
Benzyl 1-Benzyl-1H-indazole-3-carboxylate |
CAS: |
174180-54-2 |
Synonyms: |
1-(phenylmethyl)-3-indazolecarboxylic acid (phenylmethyl) ester; benzyl 1-benzylindazole-3-carboxylate |
IUPAC Name: | benzyl 1-benzylindazole-3-carboxylate |
Description: | Benzyl 1-Benzyl-1H-indazole-3-carboxylate (CAS# 174180-54-2) is a useful research chemical. |
Molecular Weight: | 342.39 |
Molecular Formula: | C22H18N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CC=C4 |
InChI: | InChI=1S/C22H18N2O2/c25-22(26-16-18-11-5-2-6-12-18)21-19-13-7-8-14-20(19)24(23-21)15-17-9-3-1-4-10-17/h1-14H,15-16H2 |
InChI Key: | PBFSDBVIGNCTEE-UHFFFAOYSA-N |
LogP: | 4.44160 |
Publication Number | Title | Priority Date |
AP-551-A | 1.5 Benzodiazepine | 19940415 |
CA-2186872-A1 | Cck or gastrin modulating 1,5 benzodiazepines derivatives | 19940415 |
EP-0755384-A1 | Cck or gastrin modulating 1,5 benzodiazepines derivatives | 19940415 |
JP-H09511999-A | 1,5 benzodiazepine derivatives that regulate CCK or gastrin | 19940415 |
US-5859007-A | CCK or gastrin modulating benzo b! 1,4! diazepines derivatives | 19940415 |
Complexity: | 457 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.136827821 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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