Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)C1- InChIKey
OZOYBEHIYDHJNL-SANMLTNESA-N- Molecular formula
- C30H34ClN3O6S
- Average molar mass
- 600.1 g/mol
- Monoisotopic mass
- 599.1856847
Names & identifiers
- Preferred name
- 1-[4-[[(3S)-1-tert-Butoxycarbonylpyrrolidin-3-yl]oxy]benzoyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine
- IUPAC
- tert-butyl (3S)-3-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6198635OZOYBEHIYDHJNL-SANMLTNESA-N1-[4-[[(3S)-1-tert-Butoxycarbonylpyrrolidin-3-yl]oxy]benzoyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine
Database identifiers
- PubChem CID
- 69700796
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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