Basic information
- Standard SMILES
CCSc1ccc(C(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1- InChIKey
YMNGWHYOTKNLBF-UHFFFAOYSA-N- Molecular formula
- C21H19N5O5S
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- 6-Ethylsulfanyl-pyridazine-3-carboxylic acid [2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-amide
- IUPAC
- N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-6-ethylsulfanylpyridazine-3-carboxamide
Names & synonyms
SCHEMBL13578931YMNGWHYOTKNLBF-UHFFFAOYSA-N6-Ethylsulfanyl-pyridazine-3-carboxylic acid [2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-amide
Database identifiers
- PubChem CID
- 57730519
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 807
Related reactions
2 records
Compound notes
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