Basic information
- Standard SMILES
Cc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1CN- InChIKey
KFMNGJUVJJROFF-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2F3N2OS
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.0077741
Names & identifiers
- Preferred name
- C-{5-(5-[3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-thiophen-3-yl}-methylamine
- IUPAC
- [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylthiophen-3-yl]methanamine
Names & synonyms
C-{5-(5-[3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-thiophen-3-yl}-methylamineC-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-thiophen-3-yl}-methylamineSCHEMBL12495393
Database identifiers
- PubChem CID
- 68293128
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Related reactions
3 records
Compound notes
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