Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C(C(=O)NNc2ccccc2)CSC1c1cccnc1- InChIKey
AOAQFBMLVSBUAY-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.15691181
Names & identifiers
- Preferred name
- N'-phenyl-3-tert-butoxycarbonyl-2-(3-pyridyl)thiazolidine-4-carbohydrazide
- IUPAC
- tert-butyl 4-(anilinocarbamoyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
Names & synonyms
SCHEMBL9819935AOAQFBMLVSBUAY-UHFFFAOYSA-NN'-phenyl-3-tert-butoxycarbonyl-2-(3-pyridyl)thiazolidine-4-carbohydrazide
Database identifiers
- PubChem CID
- 20074037
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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