Basic information
- Standard SMILES
COC(=O)c1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1F- InChIKey
IUMLBCHAKNZJQA-UHFFFAOYSA-N- Molecular formula
- C18H25FN2O6S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.14173586
Names & identifiers
- Preferred name
- 4-(4-tert-Butoxycarbonylamino-piperidine-1-sulfonyl)-2-fluoro-benzoic acid methyl ester
- IUPAC
- methyl 2-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylbenzoate
Names & synonyms
SCHEMBL14057505IUMLBCHAKNZJQA-UHFFFAOYSA-N4-(4-tert-Butoxycarbonylamino-piperidine-1-sulfonyl)-2-fluoro-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 71060266
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
Related reactions
2 records
Compound notes
Loading…