Basic information
- Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)Oc3ccccc3)c2C(N)=O)c(F)c1F- InChIKey
LUGNUVHQIIOEJH-UHFFFAOYSA-N- Molecular formula
- C19H14F3N3O4S
- Average molar mass
- 437.4 g/mol
Names & identifiers
- Preferred name
- [4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester
- IUPAC
- phenyl N-[4-carbamoyl-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazol-5-yl]carbamate
Names & synonyms
SCHEMBL3094676LUGNUVHQIIOEJH-UHFFFAOYSA-N[4-carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester
Database identifiers
- PubChem CID
- 54053016
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
69 records
Compound notes
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