Basic information
- Standard SMILES
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2cc(NC(=O)N3CCCC3)ncn2)c(F)c1- InChIKey
MLTVIRHIZHCKCM-UHFFFAOYSA-N- Molecular formula
- C24H23FN6O3S
- Average molar mass
- 494.5 g/mol
Names & identifiers
- Preferred name
- Pyrrolidine-1-carboxylic acid {6-[2-fluoro-4-(3-phenylacetylthioureido)phenoxy]pyrimidin-4-yl}amide
- IUPAC
- N-[6-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide
Names & synonyms
SCHEMBL13860988MLTVIRHIZHCKCM-UHFFFAOYSA-NPyrrolidine-1-carboxylic acid {6-[2-fluoro-4-(3-phenylacetylthioureido)phenoxy]pyrimidin-4-yl}amide
Database identifiers
- PubChem CID
- 11248939
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
10 records
Compound notes
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