Basic information
- Standard SMILES
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(COC(=O)CNC(=O)OC(C)(C)C)cc2)nc(N)n1- InChIKey
VIRFNRZQDBFURX-UHFFFAOYSA-N- Molecular formula
- C26H30ClN5O5
- Average molar mass
- 528 g/mol
Names & identifiers
- Preferred name
- Tert-butoxycarbonylamino-acetic acid 4-[2-amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzyl ester
- IUPAC
- [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Names & synonyms
SCHEMBL4278621VIRFNRZQDBFURX-UHFFFAOYSA-Ntert-butoxycarbonylamino-acetic acid 4-[2-amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzyl ester
Database identifiers
- PubChem CID
- 68983979
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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