Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc2)C1- InChIKey
HHZUGBDSQKEEIE-SANMLTNESA-N- Molecular formula
- C30H38N4O5
- Average molar mass
- 534.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3S)-3-[4-({3-[4-(phenylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)phenoxy]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6840207HHZUGBDSQKEEIE-SANMLTNESA-Ntert-Butyl (3S)-3-[4-({3-[4-(phenylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)phenoxy]pyrrolidine-1-carboxylatetert-Butyl(3S)-3-[4-({3-[4-(phenylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)phenoxy]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 59625931
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 863
Related reactions
14 records
Compound notes
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