Basic information
- Standard SMILES
CCOc1cc(S(=O)(=O)NC(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1- InChIKey
DEBPBSXGEXIOJW-QPPIDDCLSA-N- Molecular formula
- C38H49Cl2N5O6S2
- Average molar mass
- 806.9 g/mol
Names & identifiers
- Preferred name
- 4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-[4-(3-methanesulfonyl-propyl)-piperazine-1-carbonyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-2-yl}-N-tert-butyl-3-ethoxy-benzenesulfonamide
- IUPAC
- 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1-[4-(3-methylsulfonylpropyl)piperazine-1-carbonyl]imidazol-2-yl]-N-tert-butyl-3-ethoxybenzenesulfonamide
Names & synonyms
SCHEMBL1546946DEBPBSXGEXIOJW-QPPIDDCLSA-N4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-[4-(3-methanesulfonyl-propyl)-piperazine-1-carbonyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-2-yl}-N-tert-butyl-3-ethoxy-benzenesulfonamide
Database identifiers
- PubChem CID
- 17754359
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
1 records
Compound notes
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