Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CCl)sc4n3)c(Cl)cc2F)c1- InChIKey
AUAGZGCBSWKACK-UHFFFAOYSA-N- Molecular formula
- C25H18Cl2FN5O3S
- Average molar mass
- 558.4 g/mol
- Monoisotopic mass
- 557.0491442
Names & identifiers
- Preferred name
- N-[4-chloro-5-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]-3-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-[4-chloro-5-[[2-[(2-chloroacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluorophenyl]-3-(2-cyanopropan-2-yl)benzamide
Names & synonyms
SCHEMBL2851399AUAGZGCBSWKACK-UHFFFAOYSA-NN-[4-chloro-5-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]-3-(1-cyano-1-methylethyl)benzamide
Database identifiers
- PubChem CID
- 86646016
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 892
Related reactions
9 records
Compound notes
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