Basic information
- Standard SMILES
CC[C@@H]1CNCCN1C(=O)OCc1ccc(OC(F)F)cc1.O=C(O)/C=C/C(=O)O- InChIKey
OFDTUWZWYFHFDN-SNXORLAUSA-N- Molecular formula
- C19H24F2N2O7
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.15515743
Names & identifiers
- Preferred name
- (R)-4-Difluoromethoxybenzyl 2-ethylpiperazine-1-carboxylate fumarate
- IUPAC
- (E)-but-2-enedioic acid;[4-(difluoromethoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
Names & synonyms
(R)-4-Difluoromethoxybenzyl 2-ethylpiperazine-1-carboxylate fumarateSCHEMBL4678054
Database identifiers
- PubChem CID
- 21021913
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 469
Related reactions
5 records
Compound notes
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