Basic information
- Standard SMILES
COC(=O)c1c(N(C(=O)OC)S(=O)(=O)c2ccc(F)cc2/C=C(/C)CO)ccc2c1OCC1CC21- InChIKey
NBVXTPJWTBFEGJ-JYRVWZFOSA-N- Molecular formula
- C24H24FNO8S
- Average molar mass
- 505.5 g/mol
Names & identifiers
- Preferred name
- methyl (1aRS,7bSR)-5-{N-[4-fluoro-2-((Z)-3-hydroxy-2-methylprop-1-enyl)benzenesulfonyl]-N-methoxycarbonylamino}-1,1a,2,7b-tetrahydrocyclopropa-[c]chromene-4-carboxylate
- IUPAC
- methyl 5-[[4-fluoro-2-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenyl]sulfonyl-methoxycarbonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate
Names & synonyms
SCHEMBL13832837NBVXTPJWTBFEGJ-JYRVWZFOSA-Nmethyl (1aRS,7bSR)-5-{N-[4-fluoro-2-((Z)-3-hydroxy-2-methylprop-1-enyl)benzenesulfonyl]-N-methoxycarbonylamino}-1,1a,2,7b-tetrahydrocyclopropa-[c]chromene-4-carboxylate
Database identifiers
- PubChem CID
- 71007016
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 950
Related reactions
1 records
Compound notes
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