(2S,4S)-1-BOC-4-[acetyl(4,4-dimethylcyclohexyl)amino]-2-[(4-methylpiperazin-1-yl)carbonyl]pyrrolidine
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Basic information
- Standard SMILES
CC(=O)N(C1CCC(C)(C)CC1)[C@H]1C[C@@H](C(=O)N2CCN(C)CC2)N(C(=O)OC(C)(C)C)C1- InChIKey
PUSNFEKPPYQMLV-SFTDATJTSA-N- Molecular formula
- C25H44N4O4
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-1-BOC-4-[acetyl(4,4-dimethylcyclohexyl)amino]-2-[(4-methylpiperazin-1-yl)carbonyl]pyrrolidine
- IUPAC
- tert-butyl (2S,4S)-4-[acetyl-(4,4-dimethylcyclohexyl)amino]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2310964PUSNFEKPPYQMLV-SFTDATJTSA-N(2S,4S)-1-BOC-4-[acetyl(4,4-dimethylcyclohexyl)amino]-2-[(4-methylpiperazin-1-yl)carbon yl]pyrrolidine(2S,4S)-1-BOC-4-[acetyl(4,4-dimethylcyclohexyl)amino]-2-[(4-methylpiperazin-1-yl)carbonyl]pyrrolidine
Database identifiers
- PubChem CID
- 67359166
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 729
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Related reactions
8 records
Compound notes
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