Basic information
- Standard SMILES
O=C1Nc2ccccc2N(C(=O)CCl)c2cscc21- InChIKey
SQMFFRGUTWMNIV-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O2S
- Average molar mass
- 292.74 g/mol
Names & identifiers
- Preferred name
- 4-chloroacetyl-9,10-dihydro-4H-thieno[3,4-b][1,5]benzodiazepin-10-one
- IUPAC
- 10-(2-chloroacetyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Names & synonyms
SCHEMBL9870129SQMFFRGUTWMNIV-UHFFFAOYSA-N4-(chloroacetyl)-4,9-dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-one4-chloroacetyl-9,10-dihydro-4H-thieno[3,4-b][1,5]benzodiazepin-10-one
Database identifiers
- PubChem CID
- 20063899
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
17 records
Compound notes
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