3-Chloro-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
Basic information
- CAS
692742-91-9- Standard SMILES
CC(C)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1- InChIKey
CBURKJXNJOUDRF-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O3
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1084202
Names & identifiers
- Preferred name
- 3-Chloro-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
- IUPAC
- 3-chloro-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
Names & synonyms
3-chloro-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dioneMLS001176750CHEMBL1712164DTXSID201321029HMS2924D21AKOS001108208692742-91-9SMR000590656Z996017643-Chloro-4-(morpholin-4-yl)-1-[4-(propan-2-yl)phenyl]-1H-pyrrole-2,5-dione
Database identifiers
- CAS
692742-91-9- PubChem CID
- 734792
- DTXSID
DTXSID201321029- ChEMBL
CHEMBL1712164
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
Solubility9.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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