Basic information
- Standard SMILES
CCNC(=O)Nc1nc2cccc(OC(C)C)c2s1- InChIKey
NCZUGCJRWIQDPP-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2S
- Average molar mass
- 279.36 g/mol
Names & identifiers
- Preferred name
- 1-(7-Isopropoxy-2-benzothiazolyl)-3-ethylurea
- IUPAC
- 1-ethyl-3-(7-propan-2-yloxy-1,3-benzothiazol-2-yl)urea
Names & synonyms
SCHEMBL6068260NCZUGCJRWIQDPP-UHFFFAOYSA-N1-(7-Isopropoxy-2-benzothiazolyl)-3-ethylurea
Database identifiers
- PubChem CID
- 21985653
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
2 records
Compound notes
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