1-(6-Bromo-7-benzyloxy-2-benzothiazolyl)-3-ethyl-urea

HCID 21985604
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Basic information

Standard SMILES
CCNC(=O)Nc1nc2ccc(Br)c(OCc3ccccc3)c2s1
InChIKey
WBQBFDWNTLZNOI-UHFFFAOYSA-N
Molecular formula
C17H16BrN3O2S
Average molar mass
406.3 g/mol

Names & identifiers

Preferred name
1-(6-Bromo-7-benzyloxy-2-benzothiazolyl)-3-ethyl-urea
IUPAC
1-(6-bromo-7-phenylmethoxy-1,3-benzothiazol-2-yl)-3-ethylurea

Names & synonyms

SCHEMBL6068144WBQBFDWNTLZNOI-UHFFFAOYSA-N1-(6-Bromo-7-benzyloxy-2-benzothiazolyl)-3-ethyl-urea

Database identifiers

PubChem CID
21985604

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
91.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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