Basic information
- Standard SMILES
CC1(C)c2cc(SCC(O)CO)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21- InChIKey
CYHZDISHAYTGPY-UHFFFAOYSA-N- Molecular formula
- C22H20N2O3S
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 8-(2,3-Dihydroxy-propylsulfanyl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
- IUPAC
- 8-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Names & synonyms
SCHEMBL896967CYHZDISHAYTGPY-UHFFFAOYSA-N8-(2,3-Dihydroxy-propylsulfanyl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Database identifiers
- PubChem CID
- 66834014
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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