Basic information
- Standard SMILES
OCCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2- InChIKey
JRXATSBJEOFRJV-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N4O
- Average molar mass
- 373.2 g/mol
Names & identifiers
- Preferred name
- 8-chloro-1-(2-hydroxyethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a]-[1,4]benzodiazepine
- IUPAC
- 2-[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethanol
Names & synonyms
SCHEMBL11843478JRXATSBJEOFRJV-UHFFFAOYSA-N8-chloro-1-(2-hydroxyethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a]-[1,4]benzodiazepine8-chloro-1-(2-hydroxyethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine
Database identifiers
- PubChem CID
- 21494835
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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