Basic information
- Standard SMILES
CCOC(=O)c1cnc(N2CCc3ccccc32)nc1NCc1ccc(F)cc1- InChIKey
LXIFYWRMVBPJOJ-UHFFFAOYSA-N- Molecular formula
- C22H21FN4O2
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- ethyl 2-(2,3-dihydro-1H-indol-1-yl)-4-[(4-fluorobenzyl)amino]-5-pyrimidinecarboxylate
- IUPAC
- ethyl 2-(2,3-dihydroindol-1-yl)-4-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL5751294LXIFYWRMVBPJOJ-UHFFFAOYSA-Nethyl 2-(2,3-dihydro-1H-indol-1-yl)-4-[(4-fluorobenzyl)amino]-5-pyrimidinecarboxylate
Database identifiers
- PubChem CID
- 21990825
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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