N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Basic information
- CAS
330189-57-6- Standard SMILES
COc1cc([N+](=O)[O-])cc2sc(NC(=O)C3CC3)nc12- InChIKey
URHLOIQVMNWDDZ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4S
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.04702701
Names & identifiers
- Preferred name
- N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
- IUPAC
- N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Names & synonyms
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide330189-57-6N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)cyclopropanecarboxamideOprea1_794976MLS000703495CHEMBL1565614DTXSID101319786HMS2668G10AKOS024575290SMR000322859EU-0037228SR-01000424426
Show more names
SR-01000424426-1F0317-0102
Database identifiers
- CAS
330189-57-6- PubChem CID
- 4282255
- DTXSID
DTXSID101319786- ChEMBL
CHEMBL1565614
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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