Basic information
- Standard SMILES
CCOC(=O)Nc1cc(-c2cccs2)ccc1NC(=O)OC(C)(C)C- InChIKey
GEKFIGOSERKFIA-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl ethyl (4-(thiophen-2-yl)-1,2-phenylene)dicarbamate
- IUPAC
- tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate
Names & synonyms
SCHEMBL13833383GEKFIGOSERKFIA-UHFFFAOYSA-Ntert-butyl ethyl (4-(thiophen-2-yl)-1,2-phenylene)dicarbamate
Database identifiers
- PubChem CID
- 71007309
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
4 records
Compound notes
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