Basic information
- Standard SMILES
CCC1(CC)Oc2ccc(C#N)cc2[C@@H](N2CCSC2=NC#N)[C@@H]1O- InChIKey
QIKJTOKGQNKSCB-CVEARBPZSA-N- Molecular formula
- C18H20N4O2S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- trans-4-(2-cyanoiminothiazolidin-3-yl)-2,2-diethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6carbonitrile
- IUPAC
- [3-[(3S,4R)-6-cyano-2,2-diethyl-3-hydroxy-3,4-dihydrochromen-4-yl]-1,3-thiazolidin-2-ylidene]cyanamide
Names & synonyms
SCHEMBL9765480QIKJTOKGQNKSCB-CVEARBPZSA-Ntrans-4-(2-cyanoiminothiazolidin-3-yl)-2,2-diethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6carbonitrile
Database identifiers
- PubChem CID
- 86744550
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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