Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(-c3cccc(C#N)c3)cc2)CCOCC1- InChIKey
QSDUDRRGIQZNCA-QHCPKHFHSA-N- Molecular formula
- C27H30N4O4
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 4-(1-cyano-2-(3'-cyanobiphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL2892625QSDUDRRGIQZNCA-QHCPKHFHSA-N(S)-tert-butyl 4-(1-cyano-2-(3'-cyanobiphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568588
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 834
Related reactions
2 records
Compound notes
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