Basic information
- Standard SMILES
Cc1nc2c(=O)c3ccc(C(C)Br)cc3ccc2s1- InChIKey
RTRVDTDKYVDSDZ-UHFFFAOYSA-N- Molecular formula
- C15H12BrNOS
- Average molar mass
- 334.2 g/mol
Names & identifiers
- Preferred name
- 7-(1-Bromoethyl)-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]thiazole-4-one
- IUPAC
- 12-(1-bromoethyl)-5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
Names & synonyms
SCHEMBL7508101RTRVDTDKYVDSDZ-UHFFFAOYSA-N7-(1-Bromoethyl)-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]thiazole-4-one
Database identifiers
- PubChem CID
- 22003609
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
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