(S)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-N-(2,4-difluorophenyl)-2-phenylacetamide
Basic information
- CAS
2101517-97-7- Standard SMILES
O=C(Nc1ccc(F)cc1F)[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1- InChIKey
BDBWQANRZRCMMD-IBGZPJMESA-N- Molecular formula
- C23H15F8N3OS
- Average molar mass
- 533.4 g/mol
- Monoisotopic mass
- 533.08080858
Names & identifiers
- Preferred name
- (S)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-N-(2,4-difluorophenyl)-2-phenylacetamide
- IUPAC
- (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide
Names & synonyms
(S)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-N-(2,4-difluorophenyl)-2-phenylacetamide2101517-97-7SCHEMBL20418419BDBWQANRZRCMMD-IBGZPJMESA-NDTXSID401110147(I+/-S)-I+/--[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-(2,4-difluorophenyl)benzeneacetamide
Database identifiers
- CAS
2101517-97-7- PubChem CID
- 135257599
- DTXSID
DTXSID401110147
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 737
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Compound notes
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