N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
Basic information
- CAS
7622-04-0- Standard SMILES
COc1cc2c(c(OC)c1OC)C1=C(CC(O)C(O)CC1)C(NC(C)=O)CC2- InChIKey
MMCKKLQISMJLPI-UHFFFAOYSA-N- Molecular formula
- C21H29NO6
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.19948764
Names & identifiers
- Preferred name
- N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
- IUPAC
- N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
Names & synonyms
7622-04-0NSC406040N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamideDTXSID00324213NSC-406040
Database identifiers
- CAS
7622-04-0- PubChem CID
- 347380
- DTXSID
DTXSID00324213
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…