Basic information
- Standard SMILES
C#CCN(CC=O)C(=O)Nc1nc2cccc(Br)c2s1- InChIKey
BVTGITKUTQNGCZ-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3O2S
- Average molar mass
- 352.21 g/mol
- Monoisotopic mass
- 350.96771
Names & identifiers
- Preferred name
- 2-[1-Propargyl-3-(7-bromobenzothiazol-2-yl)ureido]acetaldehyde
- IUPAC
- 3-(7-bromo-1,3-benzothiazol-2-yl)-1-(2-oxoethyl)-1-prop-2-ynylurea
Names & synonyms
SCHEMBL11633712BVTGITKUTQNGCZ-UHFFFAOYSA-N2-[1-propargyl-3-(7-bromobenzothiazol-2-yl)ureido]acetaldehyde
Database identifiers
- PubChem CID
- 20357136
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
6 records
Compound notes
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