7-chloro-N-(3-chlorophenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
Basic information
- CAS
182128-52-5- Standard SMILES
O=C(Nc1cccc(Cl)c1)N1CCSc2cc(Cl)ccc21- InChIKey
XQAMKQUWTISIDE-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2N2OS
- Average molar mass
- 339.2 g/mol
Names & identifiers
- Preferred name
- 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
- IUPAC
- 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
- English name
- 7-Chloro-N-(3-chlorophenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
- Molecular formula
- C15H12Cl2N2OS
- Molecular weight
- 339.24
Names & synonyms
182128-52-57-chloro-N-(3-chlorophenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide7-chloro-N-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamideMFCD00138839MLS000543126Oprea1_279114CHEMBL1461548HMS2394L19AKOS005096752SMR0001690956B-083
Show more names
4H-1,4-Benzothiazine-4-carboxamide, 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-
Database identifiers
- CAS
182128-52-5- ChEMBL
CHEMBL1461548
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 545.4 · 545.4±50.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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