Basic information
- Standard SMILES
COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(N4CCN(C(C)=O)CC4)c3)nc12- InChIKey
WCZSVYXPXYUNLY-UHFFFAOYSA-N- Molecular formula
- C24H28N6O4S
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-Acetyl-piperazin-1-yl)-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
- IUPAC
- 2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
Names & synonyms
SCHEMBL5566626WCZSVYXPXYUNLY-UHFFFAOYSA-N2-(4-Acetyl-piperazin-1-yl)-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
Database identifiers
- PubChem CID
- 22993399
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
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