Basic information
- CAS
6947-16-6- Standard SMILES
COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)n2)cc1Br- InChIKey
WXFZQNRWVSCLLH-UHFFFAOYSA-N- Molecular formula
- C20H15BrClN3O2S2
- Average molar mass
- 508.8 g/mol
- Monoisotopic mass
- 506.94776
Names & identifiers
- Preferred name
- N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
- IUPAC
- N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
Names & synonyms
6947-16-6N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamideN-{[4-(3-Bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamideDTXSID40411772
Database identifiers
- CAS
6947-16-6- PubChem CID
- 5230788
- DTXSID
DTXSID40411772
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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