Basic information
- Standard SMILES
CC1(C)c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21- InChIKey
KNNQVOYZNULLOT-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 6,6-dimethyl-8-(4-(methylsulfonyl)piperazin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
- IUPAC
- 6,6-dimethyl-8-(4-methylsulfonylpiperazin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Names & synonyms
CHEMBL1779199SCHEMBL896886KNNQVOYZNULLOT-UHFFFAOYSA-NBDBM503446616,6-dimethyl-8-(4-(methylsulfonyl)piperazin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile8-(4-Methanesulfonyl-piperazin-1-yl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Database identifiers
- PubChem CID
- 54586753
- ChEMBL
CHEMBL1779199
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 911
Related reactions
2 records
Compound notes
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