Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(N(S)CCNC(=O)OC(C)(C)C)c1- InChIKey
DWIWUGJXRVKSDM-UHFFFAOYSA-N- Molecular formula
- C14H21N3O4S
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- [2-(5-Methyl-sulfanyl-2-nitro-phenylamino)-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-(5-methyl-2-nitro-N-sulfanylanilino)ethyl]carbamate
Names & synonyms
SCHEMBL890852DWIWUGJXRVKSDM-UHFFFAOYSA-N[2-(5-methyl-sulfanyl-2-nitro-phenylamino)-ethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86615412
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
5 records
Compound notes
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