Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(oc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)C1- InChIKey
VAESEJXWDMWGHL-UHFFFAOYSA-N- Molecular formula
- C27H26ClFN4O4
- Average molar mass
- 525 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5,8-dihydropyrido[4',3':4,5]furo-[2,3-d]pyrimidine-7(6H)-carboxylate
- IUPAC
- tert-butyl 3-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate
Names & synonyms
SCHEMBL13473625VAESEJXWDMWGHL-UHFFFAOYSA-Ntert-Butyl 4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5,8-dihydropyrido[4',3':4,5]furo-[2,3-d]pyrimidine-7(6H)-carboxylate
Database identifiers
- PubChem CID
- 70915423
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 788
Related reactions
3 records
Compound notes
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