Basic information
- Standard SMILES
Cc1ccc(OCc2c(F)cccc2Cl)c(NC(=S)Nc2ccc(Cl)cc2)n1- InChIKey
LAYIRIQAPFQQIK-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2FN3OS
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.0375169
Names & identifiers
- Preferred name
- N-[3-(2-chloro-6-fluorobenzyloxy)-6-methylpyrid-2-yl]-N'-4-chlorophenylthiourea
- IUPAC
- 1-[3-[(2-chloro-6-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-3-(4-chlorophenyl)thiourea
Names & synonyms
SCHEMBL9125510LAYIRIQAPFQQIK-UHFFFAOYSA-NN-[3-(2-Chloro-6-fluorobenzyloxy)-6-methylpyrid-2-yl]-N'-(4chlorophenyl)thioureaN-[3-(2-chloro-6-fluorobenzyloxy)-6-methylpyrid-2-yl]-N'-4-chlorophenylthiourea
Database identifiers
- PubChem CID
- 20076972
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
Related reactions
3 records
Linked notes
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