Basic information
- Standard SMILES
CC(C)OC(=O)Cn1c(=O)n(CC(=O)OC(C)C)c(=O)n(-c2cc(N=c3sc(=O)n4n3CCCC4)c(F)cc2Cl)c1=O- InChIKey
FJHAORLFDDRQIH-UHFFFAOYSA-N- Molecular formula
- C25H28ClFN6O8S
- Average molar mass
- 627 g/mol
Names & identifiers
- Preferred name
- Diisopropyl 5-{2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H, 3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene) amino]phenyl}dihydro-2,4,6-trioxo-s-triazine-1,3 (2H,4H)-diacetate
- IUPAC
- propan-2-yl 2-[3-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]-2,4,6-trioxo-5-(2-oxo-2-propan-2-yloxyethyl)-1,3,5-triazinan-1-yl]acetate
Names & synonyms
FJHAORLFDDRQIH-UHFFFAOYSA-NDiisopropyl 5-{2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H, 3H-[1,3,4 ]thiadiazolo[3,4-a]pyridazin-1-ylidene) amino]phenyl}dihydro-2,4,6-trioxo-s-triazine-1,3 (2H,4H)-diacetate
Database identifiers
- PubChem CID
- 86752188
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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