Basic information
- Standard SMILES
Fc1ccc(COc2cccnc2NC(=S)Nc2ccc(Cl)cc2)c(F)c1- InChIKey
HWHRSPPUQGJMST-UHFFFAOYSA-N- Molecular formula
- C19H14ClF2N3OS
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 405.0514173
Names & identifiers
- Preferred name
- N-(3-(2,4-Difluorobenzyloxy)pyrid-2-yl)-N'-(4-chlorophenyl)thiourea
- IUPAC
- 1-(4-chlorophenyl)-3-[3-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]thiourea
Names & synonyms
SCHEMBL9125540HWHRSPPUQGJMST-UHFFFAOYSA-NN-(3-(2,4-Difluorobenzyloxy)pyrid-2-yl)-N'-(4-chlorophenyl)thiourea
Database identifiers
- PubChem CID
- 20077041
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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