Basic information
- Standard SMILES
COC(=O)Nc1ccc(Sc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1- InChIKey
SXLZOJZWKXJVGY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O6S
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(4-(methoxycarbonylamino)phenylthio)-3-nitrobenzoate
- IUPAC
- methyl 4-[4-(methoxycarbonylamino)phenyl]sulfanyl-3-nitrobenzoate
Names & synonyms
SCHEMBL1455940SXLZOJZWKXJVGY-UHFFFAOYSA-Nmethyl 4-(4-(methoxycarbonylamino)phenylthio)-3-nitrobenzoate
Database identifiers
- PubChem CID
- 67041007
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
3 records
Compound notes
Loading…