Basic information
- Standard SMILES
O=C1CC(c2csc(-n3ccnc3)n2)=Nc2ccc(-c3ccc(F)cc3)cc2N1- InChIKey
RFKQGNSXMSHKNS-UHFFFAOYSA-N- Molecular formula
- C21H14FN5OS
- Average molar mass
- 403.4 g/mol
Names & identifiers
- Preferred name
- 8-(4-Fluoro-phenyl)-4-(2-imidazol-1-yl-thiazol-4-yl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-(4-fluorophenyl)-4-(2-imidazol-1-yl-1,3-thiazol-4-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
SCHEMBL5869184RFKQGNSXMSHKNS-UHFFFAOYSA-N8-(4-Fluoro-phenyl)-4-(2-imidazol-1-yl-thiazol-4-yl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 22224924
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
4 records
Compound notes
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