Basic information
- Standard SMILES
O=C(Nc1cc(-c2cccs2)ccc1[N+](=O)[O-])OCC1CCCCC1- InChIKey
WNNDEVGJBNBYJP-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4S
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- Cyclohexylmethyl (2-nitro-5-(thiophen-2-yl)phenyl)carbamate
- IUPAC
- cyclohexylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate
Names & synonyms
SCHEMBL13833533WNNDEVGJBNBYJP-UHFFFAOYSA-Ncyclohexylmethyl (2-nitro-5-(thiophen-2-yl)phenyl)carbamate
Database identifiers
- PubChem CID
- 71007336
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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