Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)cc2)cc1- InChIKey
RYTJPGHFERJKSI-QHCPKHFHSA-N- Molecular formula
- C28H35N3O6S
- Average molar mass
- 541.7 g/mol
- Monoisotopic mass
- 541.22465702
Names & identifiers
- Preferred name
- (S)-tert-butyl 4-(1-cyano-2-(4'-(ethylsulfonyl)biphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(1S)-1-cyano-2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL2890537RYTJPGHFERJKSI-QHCPKHFHSA-N(S)-tert-butyl 4-(1-cyano-2-(4'-(ethylsulfonyl)biphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate(S)-tert-butyl-4-(1-cyano-2-(4'-(ethylsulfonyl)biphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568561
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 955
Related reactions
2 records
Compound notes
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