Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN2CCN(S(=O)(=O)C3=Cc4ccc(Cl)cc4OC3)CC2=O)CC1- InChIKey
PPZUDPMMLXWOLV-UHFFFAOYSA-N- Molecular formula
- C24H32ClN3O6S
- Average molar mass
- 526 g/mol
- Monoisotopic mass
- 525.1700346
Names & identifiers
- Preferred name
- 1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-(7-chloro-2H-benzopyran-3-sulfonyl)-2-piperazinone
- IUPAC
- tert-butyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6892977PPZUDPMMLXWOLV-UHFFFAOYSA-N1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-(7-chloro-2H-benzopyran-3-sulfonyl)-2-piperazinone
Database identifiers
- PubChem CID
- 23447347
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 936
Related reactions
5 records
Compound notes
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