Basic information
- Standard SMILES
CN1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccccc4)cc3F)ccn2)CC1- InChIKey
ZKEUDWCPBHVRDH-UHFFFAOYSA-N- Molecular formula
- C26H27FN6O4
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.20778153
Names & identifiers
- Preferred name
- 4-Methylpiperazine-1-carboxylic acid {4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide
- IUPAC
- N-[4-[2-fluoro-4-[(2-phenylacetyl)carbamoylamino]phenoxy]-2-pyridinyl]-4-methylpiperazine-1-carboxamide
Names & synonyms
SCHEMBL13861048ZKEUDWCPBHVRDH-UHFFFAOYSA-N4-Methylpiperazine-1-carboxylic acid {4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide
Database identifiers
- PubChem CID
- 57677474
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 774
Related reactions
2 records
Compound notes
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