Basic information
- Standard SMILES
CC(C)(C)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O- InChIKey
AKAVFRAMRYYUBK-UHFFFAOYSA-N- Molecular formula
- C25H27N3O2
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- 8-(2-Tert-butylamino-ethoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
- IUPAC
- 8-[2-(tert-butylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Names & synonyms
SCHEMBL897170CHEMBL3892306AKAVFRAMRYYUBK-UHFFFAOYSA-NBDBM178922US9126931, 558-(2-Tert-butylamino-ethoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Database identifiers
- PubChem CID
- 49804871
- ChEMBL
CHEMBL3892306
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 703
Related reactions
1 records
Compound notes
Loading…