Basic information
- CAS
1170427-14-1- Standard SMILES
Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc12- InChIKey
NMWCXRDPPHBAGJ-UHFFFAOYSA-N- Molecular formula
- C28H29ClN4O4S2
- Average molar mass
- 585.1 g/mol
- Monoisotopic mass
- 584.1318755
Names & identifiers
- Preferred name
- N-(6-Chloro-4-methyl-2-benzothiazolyl)-4-[(methylphenylamino)sulfonyl]-N-[2-(4-morpholinyl)ethyl]benzamide
- IUPAC
- N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
Names & synonyms
DTXSID5011101141170427-14-1N-(6-Chloro-4-methyl-2-benzothiazolyl)-4-[(methylphenylamino)sulfonyl]-N-[2-(4-morpholinyl)ethyl]benzamide
Database identifiers
- CAS
1170427-14-1- PubChem CID
- 43963243
- DTXSID
DTXSID501110114
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 917
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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