Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1F)=NCC(=S)N2- InChIKey
VBXCZRGFEKYJDK-UHFFFAOYSA-N- Molecular formula
- C15H10FN3O2S
- Average molar mass
- 315.3 g/mol
Names & identifiers
- Preferred name
- 5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepine-2(1H)-thione
- IUPAC
- 5-(2-fluorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione
Names & synonyms
SCHEMBL7376244VBXCZRGFEKYJDK-UHFFFAOYSA-N5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepine-2(1H)-thione1,3-dihydro-7-nitro-5-(o-fluorophenyl)-2H-1,4-benzodiazepine-2-thione
Database identifiers
- PubChem CID
- 12371434
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
3 records
Compound notes
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