4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide
Basic information
- Standard SMILES
O=C(CC(=O)C1=CNc2ccccc2S1)C(=O)Nc1ccc(Cl)cc1- InChIKey
UHMODYWLYCEOBZ-UHFFFAOYSA-N- Molecular formula
- C18H13ClN2O3S
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.0335411
Names & identifiers
- Preferred name
- 4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide
- IUPAC
- 4-(4H-1,4-benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide
Names & synonyms
NSC635142CHEMBL19653194-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamideNSC-635142NCI60_0116884-(4H-1,4-benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxo-butanamide
Database identifiers
- PubChem CID
- 366533
- ChEMBL
CHEMBL1965319
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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