Basic information
- Standard SMILES
CCS(=O)(=NC(=O)OC1CC(C)CCC1C(C)C)c1ccc([N+](=O)[O-])cc1- InChIKey
JMOSGMLPVVVTSD-UHFFFAOYSA-N- Molecular formula
- C19H28N2O5S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.17189317
Names & identifiers
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) N-[ethyl-(4-nitrophenyl)-oxo-lambda6-sulfanylidene]carbamate
Database identifiers
- PubChem CID
- 72354190
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
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