[6-Cyano-4-(2-cyanoimino-3-methylimidazolidin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate
Basic information
- Standard SMILES
CC(=O)OC1C(N2CCN(C)C2=NC#N)c2cc(C#N)ccc2OC1(C)C- InChIKey
GEFYMQRHTPYQBZ-UHFFFAOYSA-N- Molecular formula
- C19H21N5O3
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- [6-Cyano-4-(2-cyanoimino-3-methylimidazolidin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate
- IUPAC
- [6-cyano-4-(2-cyanoimino-3-methylimidazolidin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate
Names & synonyms
SCHEMBL9765427SCHEMBL9765435
Database identifiers
- PubChem CID
- 20073271
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 730
Related reactions
2 records
Compound notes
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