N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Basic information
- CAS
6158-66-3- Standard SMILES
CC1(C)CC(=O)c2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1- InChIKey
CEWNXULIYUJWSF-UHFFFAOYSA-N- Molecular formula
- C16H14N4O6S
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.06340535
Names & identifiers
- Preferred name
- N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
- IUPAC
- N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Names & synonyms
6158-66-3N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamideDTXSID60411956N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Database identifiers
- CAS
6158-66-3- PubChem CID
- 5233370
- DTXSID
DTXSID60411956
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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