5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepine-2(1H)-thione

HCID 12371434

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

Related reactions

3 records

Compound notes

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