2-(Ethylamino)-1-(6-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethanone
Basic information
- Standard SMILES
CCNCC(=O)N1CCSc2ccc([N+](=O)[O-])cc21- InChIKey
BMVGDWOFQNBQDP-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3S
- Average molar mass
- 281.33 g/mol
- Monoisotopic mass
- 281.08341252
Names & identifiers
- Preferred name
- 2-(Ethylamino)-1-(6-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethanone
- IUPAC
- 2-(ethylamino)-1-(6-nitro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
Names & synonyms
SCHEMBL499479BMVGDWOFQNBQDP-UHFFFAOYSA-N2-(Ethylamino)-1-(6-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethanone
Database identifiers
- PubChem CID
- 66704530
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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