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Basic information
- Standard SMILES
COc1ccc2c(c1)C(=O)C(=O)C1=C2OC2(CCN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)CS1- InChIKey
WBUWCHXQLWADSH-HXUWFJFHSA-N- Molecular formula
- C30H35NO6S
- Average molar mass
- 537.7 g/mol
- Monoisotopic mass
- 537.21850901
Names & identifiers
- Preferred name
- 1'-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-8-methoxyspiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
- IUPAC
- 1'-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-8-methoxyspiro[3H-benzo[h][1,4]benzoxathiine-2,4'-piperidine]-5,6-dione
Names & synonyms
SCHEMBL2528664WBUWCHXQLWADSH-HXUWFJFHSA-N1'-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-8-methoxyspiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
Database identifiers
- PubChem CID
- 57661908
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 912
Related reactions
1 records
Compound notes
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