Basic information
- Standard SMILES
CC1=C(C(=O)Nc2cc(C(=O)OC(C)C)ccc2F)SCCO1- InChIKey
XVGRHCGSHPSGPL-UHFFFAOYSA-N- Molecular formula
- C16H18FNO4S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.09405739
Names & identifiers
- Preferred name
- Isopropyl 4-fluoro-3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
- IUPAC
- propan-2-yl 4-fluoro-3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Names & synonyms
SCHEMBL9198177XVGRHCGSHPSGPL-UHFFFAOYSA-Nisopropyl 4-fluoro-3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate1-Methylethyl 3-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]-4-fluorobenzoateBenzoic acid, 3-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]-4-fluoro-, 1-methylethyl ester
Database identifiers
- PubChem CID
- 507309
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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