Basic information
- Standard SMILES
CN(C)S(=O)(=O)N1CC[C@H](Oc2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc2)C1- InChIKey
DXGDTIHIHRKRQL-VWLOTQADSA-N- Molecular formula
- C27H35N5O5S
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- (3S)-N,N-Dimethyl-3-[4-({3-[4-(phenylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)phenoxy]pyrrolidine-1-sulfonamide
- IUPAC
- (3S)-3-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenoxy]-N,N-dimethylpyrrolidine-1-sulfonamide
Names & synonyms
SCHEMBL693260DXGDTIHIHRKRQL-VWLOTQADSA-N(3S)-N,N-Dimethyl-3-[4-({3-[4-(phenylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)phenoxy]pyrrolidine-1-sulfonamide
Database identifiers
- PubChem CID
- 59625833
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 928
Related reactions
8 records
Compound notes
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