2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepine-2-thione
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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2- InChIKey
GEAUJEFXEUWJQP-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2S
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.05719778
Names & identifiers
- Preferred name
- 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepine-2-thione
- IUPAC
- 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
Names & synonyms
CHEMBL4211633SCHEMBL73225182,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepine-2-thioneBDBM504523897-nitro-5-phenyl-3H-1,4-benzodiazepine-2(1H)-thione1,3-dihydro-5-phenyl-7-nitro-2H-1,4-benzodiazepin-2-thione7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-thione #
Database identifiers
- PubChem CID
- 5378491
- ChEMBL
CHEMBL4211633- Nikkaji
- J615.769F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
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Related reactions
4 records
Compound notes
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