Basic information
- Standard SMILES
Cc1sc(C(=O)C=Cc2ccc(CCC(=O)O)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C- InChIKey
WJAKQJSTRRBTRL-DYESRHJHSA-N- Molecular formula
- C23H24O3S
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 3-{4-[3-oxo-3-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propenyl]-phenyl}-propionic acid
- IUPAC
- 3-[4-[3-oxo-3-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]prop-1-enyl]phenyl]propanoic acid
Names & synonyms
SCHEMBL2454778WJAKQJSTRRBTRL-DYESRHJHSA-N3-{4-[3-oxo-3-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propenyl]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 67415040
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 632
Related reactions
2 records
Compound notes
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