Basic information
- Standard SMILES
CC(=O)Nc1nc(CCc2ccc(CCOC(=O)NNC(=O)OC(C)(C)C)cc2)cs1- InChIKey
FFARNOSXQSDBSU-UHFFFAOYSA-N- Molecular formula
- C21H28N4O5S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-{2-[2-(Acetylamino)-1,3-thiazol-4-yl]ethyl}phenyl)ethyl tert-butyl hydrazine-1,2-dicarboxylate
- IUPAC
- tert-butyl N-[2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]ethoxycarbonylamino]carbamate
Names & synonyms
SCHEMBL972059FFARNOSXQSDBSU-UHFFFAOYSA-N2-(4-{2-[2-(acetylamino)-1,3-thiazol-4-yl]ethyl}phenyl)ethyl tert-butyl hydrazine-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 86649983
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
2 records
Compound notes
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