Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C(N)=O)c(F)c3)cc2)CCOCC1- InChIKey
CGSUCHNRKPGVIW-FQEVSTJZSA-N- Molecular formula
- C27H31FN4O5
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(2-(4'-carbamoyl-3'-fluorobiphenyl-4-yl)-1-cyanoethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(1S)-2-[4-(4-carbamoyl-3-fluorophenyl)phenyl]-1-cyanoethyl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL7879390CGSUCHNRKPGVIW-FQEVSTJZSA-N(S)-tert-Butyl 4-(2-(4'-carbamoyl-3'-fluorobiphenyl-4-yl)-1-cyanoethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568571
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 868
Related reactions
3 records
Compound notes
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