N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Basic information
- CAS
892857-75-9- Standard SMILES
O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(N2C(=O)CCC2=O)cc1- InChIKey
LCDZYFXHKKUFAR-UHFFFAOYSA-N- Molecular formula
- C19H13N3O5S
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.0575917
Names & identifiers
- Preferred name
- N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
- IUPAC
- N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Names & synonyms
892857-75-9N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamideN-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(2,5-dioxopyrrolidin-1-yl)benzamideF1822-0284MLS000419594CHEMBL1383330DTXSID301331859HMS2749I19SMSSF-0043386AKOS024611953SMR000320302N-(1,3-dioxa-5-thia-7-aza-2H-s-indacen-6-yl)p-(2,5-dioxo-1-pyrrolidinyl)benzamide
Show more names
N-(2H-[1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamideN-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Database identifiers
- CAS
892857-75-9- PubChem CID
- 7189863
- DTXSID
DTXSID301331859- ChEMBL
CHEMBL1383330
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 652
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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