Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])cc1F- InChIKey
UWYUASBAFCLBAB-UHFFFAOYSA-N- Molecular formula
- C29H26ClF4N5O9S2
- Average molar mass
- 764.1 g/mol
- Monoisotopic mass
- 763.0796601
Names & identifiers
- Preferred name
- tert-Butyl [(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethoxy)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamate
- IUPAC
- tert-butyl N-[5-chloro-2-fluoro-4-[2-[3-nitro-1-(oxan-2-yl)pyrazol-4-yl]-4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
Names & synonyms
tert-Butyl [(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethoxy)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamateSCHEMBL10148200tert-Butyl[(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethoxy)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamate
Database identifiers
- PubChem CID
- 68047296
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,310
Related reactions
2 records
Compound notes
Loading…