Basic information
- Standard SMILES
CC(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)NC1COC1- InChIKey
OMEHJVPEUSHJMK-UHFFFAOYSA-N- Molecular formula
- C23H30F3N3O4S2
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-2-[4-[2-[2-(oxetan-3-ylamino)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
- IUPAC
- 1,1,1-trifluoro-2-[4-[2-[2-(oxetan-3-ylamino)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
Database identifiers
- PubChem CID
- 77148355
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
Loading…