Basic information
- Standard SMILES
CCOC(=O)c1c[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc12- InChIKey
BXOLWJQDVQTDJY-UHFFFAOYSA-N- Molecular formula
- C19H18FN3O3
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-Cyclopropylmethoxy-5-fluoro-phenyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
Names & synonyms
SCHEMBL984731BXOLWJQDVQTDJY-UHFFFAOYSA-N4-(2-Cyclopropylmethoxy-5-fluoro-phenyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66867390
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
1 records
Compound notes
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