Basic information
- Standard SMILES
COc1cc([N+](=O)[O-])ccc1N=C1SCCN1CC1CCCCCC1- InChIKey
ACIMSSIFNRGWMS-UHFFFAOYSA-N- Molecular formula
- C18H25N3O3S
- Average molar mass
- 363.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methoxy-4-nitrophenylimino)-3-(cycloheptylmethyl)-1,3-thiazolidine
- IUPAC
- 3-(cycloheptylmethyl)-N-(2-methoxy-4-nitrophenyl)-1,3-thiazolidin-2-imine
Names & synonyms
SCHEMBL7114268SCHEMBL7114269ACIMSSIFNRGWMS-UHFFFAOYSA-N2-(2-methoxy-4-nitrophenylimino)-3-(cycloheptylmethyl)-1,3-thiazolidine
Database identifiers
- PubChem CID
- 18316031
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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