N-[4-chloro-3-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2ccc(Cl)c(Oc3ccc4nc(NC(=O)CCl)sc4n3)c2)c1- InChIKey
HARXKHYVQBZNOZ-UHFFFAOYSA-N- Molecular formula
- C25H19Cl2N5O3S
- Average molar mass
- 540.4 g/mol
Names & identifiers
- Preferred name
- N-[4-chloro-3-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-[4-chloro-3-[[2-[(2-chloroacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(2-cyanopropan-2-yl)benzamide
Names & synonyms
SCHEMBL2851267HARXKHYVQBZNOZ-UHFFFAOYSA-NN-[4-chloro-3-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide
Database identifiers
- PubChem CID
- 86646014
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 855
Related reactions
2 records
Compound notes
Loading…