Basic information
- Standard SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3-c3ccnnc3)c(C#N)c2)c(OC)c1- InChIKey
QROVYILOWSAAFK-UHFFFAOYSA-N- Molecular formula
- C29H21F3N6O5S2
- Average molar mass
- 654.6 g/mol
Names & identifiers
- Preferred name
- 3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
- IUPAC
- 3-cyano-N-[(2,4-dimethoxyphenyl)methyl]-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Names & synonyms
3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamideSCHEMBL10940683-cyano-N-(2,4-dimethoxybenzyl)-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxyl]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
Database identifiers
- PubChem CID
- 59436601
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
8 records
Compound notes
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