Basic information
- Standard SMILES
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)N1CC(=O)N(CCc2ccc3ccccc3c2)CC1CCC#N- InChIKey
JCNSEUZUBDINHD-UHFFFAOYSA-N- Molecular formula
- C39H40FN5O5
- Average molar mass
- 677.8 g/mol
Names & identifiers
- Preferred name
- 2-acetylamino-N-[2-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide
- IUPAC
- 2-acetamido-N-[1-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxopiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Names & synonyms
SCHEMBL5994965JCNSEUZUBDINHD-UHFFFAOYSA-N2-acetylamino-N-[2-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide
Database identifiers
- PubChem CID
- 22015687
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
3 records
Linked notes
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