Basic information
- Standard SMILES
CCC1CN(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)OC(C)(C)C- InChIKey
FTCJUFSTXPOMOC-UHFFFAOYSA-N- Molecular formula
- C34H43FN4O4
- Average molar mass
- 590.7 g/mol
Names & identifiers
- Preferred name
- [2-[2-Ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-[2-ethyl-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL5845024FTCJUFSTXPOMOC-UHFFFAOYSA-N[2-[2-ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69587828
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 934
Related reactions
2 records
Compound notes
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