N-[2-Chloro-5-(trifluoromethyl)phenyl]-I+/--[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzeneacetamide
Basic information
- CAS
726153-88-4- Standard SMILES
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1- InChIKey
RYQAAWYWLWKUEZ-UHFFFAOYSA-N- Molecular formula
- C27H17ClF3N3OS2
- Average molar mass
- 556 g/mol
- Monoisotopic mass
- 555.0453667
Names & identifiers
- Preferred name
- N-[2-Chloro-5-(trifluoromethyl)phenyl]-I+/--[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzeneacetamide
- IUPAC
- N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
Names & synonyms
DTXSID401113741AKOS007961178726153-88-4Z20236009N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamideN-[2-Chloro-5-(trifluoromethyl)phenyl]-I+/--[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzeneacetamide
Database identifiers
- CAS
726153-88-4- PubChem CID
- 4198656
- DTXSID
DTXSID401113741
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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