Basic information
- Standard SMILES
O=C(c1ccc(NCc2ccsc2)c([N+](=O)[O-])c1)N(CC(F)(F)F)CC(F)(F)F- InChIKey
BMKNZQPMGFZZLW-UHFFFAOYSA-N- Molecular formula
- C16H13F6N3O3S
- Average molar mass
- 441.3 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-4-[(3-thienylmethyl)amino]-N,N-bis(2,2,2-trifluoroethyl)benzamide
- IUPAC
- 3-nitro-4-(thiophen-3-ylmethylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
Names & synonyms
3-Nitro-4-[(3-thienylmethyl)amino]-N,N-bis(2,2,2-trifluoroethyl)benzamideSCHEMBL5098444
Database identifiers
- PubChem CID
- 58874497
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 568
Related reactions
4 records
Compound notes
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