Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N=C1SC[C@H](CC(C)C)N1CC(=O)C(C)(C)C- InChIKey
SYXGBJKARDTUKZ-INIZCTEOSA-N- Molecular formula
- C20H29N3O3S
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- (4S)-2-(2-methyl-4-nitrophenylimino)4-isobutyl-3-(2-oxo-3,3-dimethyl-1-butyl)-1,3-thiazolidine
- IUPAC
- 3,3-dimethyl-1-[(4S)-2-(2-methyl-4-nitrophenyl)imino-4-(2-methylpropyl)-1,3-thiazolidin-3-yl]butan-2-one
Names & synonyms
SCHEMBL7117676SYXGBJKARDTUKZ-INIZCTEOSA-N(4S)-2-(2-methyl-4-nitrophenylimino)4-isobutyl-3-(2-oxo-3,3-dimethyl-1-butyl)-1,3-thiazolidine
Database identifiers
- PubChem CID
- 57292017
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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