Basic information
- Standard SMILES
COc1ccc(COCc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)cc1- InChIKey
GCUDWIBGETUOSH-UHFFFAOYSA-N- Molecular formula
- C25H20Cl2N4O2
- Average molar mass
- 479.4 g/mol
Names & identifiers
- Preferred name
- 1-[(p-methoxybenzyloxy)-methyl]-6-(o-chlorophenyl)-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine
- IUPAC
- 8-chloro-6-(2-chlorophenyl)-1-[(4-methoxyphenyl)methoxymethyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Names & synonyms
SCHEMBL11077398GCUDWIBGETUOSH-UHFFFAOYSA-N1-[ (p-methoxybenzyloxy)-methyl]-6-(o-chlorophenyl)-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine
Database identifiers
- PubChem CID
- 20473085
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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