Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1- InChIKey
UBEIDSFDADNIBQ-OAQYLSRUSA-N- Molecular formula
- C25H32Cl2N4O5S
- Average molar mass
- 571.5 g/mol
Names & identifiers
- Preferred name
- n-[(1r)-1-[(3,4-Dichlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl](tert-butoxy)carboxamide
- IUPAC
- tert-butyl N-[(2R)-3-(3,4-dichlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL4512262UBEIDSFDADNIBQ-OAQYLSRUSA-Nn-[(1r)-1-[(3,4-dichlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl](tert-butoxy)carboxamide
Database identifiers
- PubChem CID
- 21060073
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 886
Related reactions
4 records
Compound notes
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