Basic information
- Standard SMILES
CCOC(=O)C(F)(F)CN(c1nc(Cl)ncc1[N+](=O)[O-])C1CCC1- InChIKey
NYXJZKHYHIPYOV-UHFFFAOYSA-N- Molecular formula
- C13H15ClF2N4O4
- Average molar mass
- 364.73 g/mol
- Monoisotopic mass
- 364.074989
Names & identifiers
- Preferred name
- 3-[(2-Chloro-5-nitro-pyrimidin-4-yl)-cyclobutyl-amino]-2,2-difluoro-propionic acid ethyl ester
- IUPAC
- ethyl 3-[(2-chloro-5-nitropyrimidin-4-yl)-cyclobutylamino]-2,2-difluoropropanoate
Names & synonyms
3-[(2-chloro-5-nitro-pyrimidin-4-yl)-cyclobutyl-amino]-2,2-difluoro-propionic acid ethyl esterSCHEMBL23021763-[(2-chloro-5-nitro-pyrimidin-4-yl)-cyclobutyl-amino]-2,2-difluoro-prop ionic acid ethyl ester
Database identifiers
- PubChem CID
- 86637501
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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