Basic information
- Standard SMILES
CCOC(=O)CNC(=O)Nc1cc(CNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ccn1- InChIKey
CXLNZZJVOCDFJY-UHFFFAOYSA-N- Molecular formula
- C26H26N6O5
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.19646795
Names & identifiers
- Preferred name
- [3-(4-{[2-(4-Cyano-benzyloxycarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-ureido]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[[4-[[2-[(4-cyanophenyl)methoxycarbamoyl]anilino]methyl]-2-pyridinyl]carbamoylamino]acetate
Names & synonyms
SCHEMBL1715232CXLNZZJVOCDFJY-UHFFFAOYSA-N[3-(4-{[2-(4-Cyano-benzyloxycarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-ureido]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 44553507
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 794
Related reactions
3 records
Compound notes
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