N-(1,2,3-trimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Basic information
- CAS
76189-03-2- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(S(C)=O)c(=O)cc1C(NC(C)=O)CC2- InChIKey
WPRGBKZCSCXZNE-UHFFFAOYSA-N- Molecular formula
- C22H25NO6S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.14025869
Names & identifiers
- Preferred name
- N-(1,2,3-trimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
- IUPAC
- N-(1,2,3-trimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
76189-03-2NSC302046N-(1,2,3-trimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamideDTXSID00316315NSC-302046N-[10-(Methanesulfinyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Database identifiers
- CAS
76189-03-2- PubChem CID
- 327339
- DTXSID
DTXSID00316315
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 816
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Compound notes
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