Basic information
- Standard SMILES
COCCC1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1C(=O)CF- InChIKey
TXYNUPBUCHTUFL-UHFFFAOYSA-N- Molecular formula
- C20H21F4N5O2S
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- 2-fluoro-1-[2-(2-methoxyethyl)-4-[2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepin-4-yl]piperazin-1-yl]ethanone
- IUPAC
- 2-fluoro-1-[2-(2-methoxyethyl)-4-[2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepin-4-yl]piperazin-1-yl]ethanone
Names & synonyms
SCHEMBL4838601
Database identifiers
- PubChem CID
- 136394875
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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