Basic information
- Standard SMILES
CC(=O)OC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C- InChIKey
MDDBJNDDJHJPLK-ZWKOTPCHSA-N- Molecular formula
- C27H33ClFN3O7S
- Average molar mass
- 598.1 g/mol
Names & identifiers
- Preferred name
- Acetic Acid 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonylamino)-1,1-dimethyl-2-oxo-ethyl Ester
- IUPAC
- [1-[[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]sulfonylamino]-2-methyl-1-oxopropan-2-yl] acetate
Names & synonyms
SCHEMBL6076161MDDBJNDDJHJPLK-ZWKOTPCHSA-NAcetic Acid 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonylamino)-1,1-dimethyl-2-oxo-ethyl Esteracetic acid 2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5dimethyl-piperazin-1-yl]2-oxo-ethoxy}-benzenesulfonylamino)-1, 1-dimethyl-2-oxo-ethyl ester
Database identifiers
- PubChem CID
- 69655351
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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