Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(Cl)cc1NC(=O)CC(=O)c1cccc(-c2ccnc(C#N)c2)c1- InChIKey
IMWWDTSOVIAWKG-UHFFFAOYSA-N- Molecular formula
- C28H24ClF3N4O5
- Average molar mass
- 589 g/mol
- Monoisotopic mass
- 588.1387321
Names & identifiers
- Preferred name
- [4-Chloro-2-{3-[3-(2-cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-chloro-2-[[3-[3-(2-cyano-4-pyridinyl)phenyl]-3-oxopropanoyl]amino]-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
Names & synonyms
[4-Chloro-2-{3-[3-(2-cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl esterSCHEMBL5556981
Database identifiers
- PubChem CID
- 86589367
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 982
Related reactions
4 records
Compound notes
Loading…