N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Basic information
- CAS
55340-44-8- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(N(CCO)CCO)c(=O)cc1C(NC(C)=O)CC2- InChIKey
QSIANVAKZUVVDN-UHFFFAOYSA-N- Molecular formula
- C25H32N2O7
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.22095136
Names & identifiers
- Preferred name
- N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- IUPAC
- N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
NSC40317755340-44-8DTXSID80323148NSC-403177N-{10-[Bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Database identifiers
- CAS
55340-44-8- PubChem CID
- 345516
- DTXSID
DTXSID80323148
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 831
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…