Basic information
- Standard SMILES
Fc1ccc(NC(=S)Nc2ncccc2OCc2c(F)cccc2Cl)cc1- InChIKey
VCECFLYSMRKWEJ-UHFFFAOYSA-N- Molecular formula
- C19H14ClF2N3OS
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 405.0514173
Names & identifiers
- Preferred name
- N-[3-(2-chloro-6-fluorobenzyloxy)pyrid-2-yl]-N'-4-fluorophenylthiourea
- IUPAC
- 1-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-3-(4-fluorophenyl)thiourea
Names & synonyms
SCHEMBL9126321VCECFLYSMRKWEJ-UHFFFAOYSA-NN-[3-(2-Chloro-6-fluorobenzyloxy)pyrid-2-yl]-N'-(4-fluorophenyl)thioureaN-[3-(2-chloro-6-fluorobenzyloxy)pyrid-2-yl]-N'-4-fluorophenylthiourea
Database identifiers
- PubChem CID
- 20077006
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
3 records
Compound notes
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