Basic information
- Standard SMILES
CCc1ccc(NC(=O)Nc2ccc(Cc3cc(Cl)ncn3)cc2)cc1- InChIKey
YABAOWLUMXFEEJ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4O
- Average molar mass
- 366.8 g/mol
Names & identifiers
- Preferred name
- 1-[4-(6-Chloro-pyrimidin-4-ylmethyl)-phenyl]-3-(4-ethyl-phenyl)-urea
- IUPAC
- 1-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]-3-(4-ethylphenyl)urea
Names & synonyms
SCHEMBL3182972YABAOWLUMXFEEJ-UHFFFAOYSA-N1-[4-(6-Chloro-pyrimidin-4-ylmethyl)-phenyl]-3-(4-ethyl-phenyl)-urea
Database identifiers
- PubChem CID
- 58659355
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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