N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Basic information
- CAS
55340-40-4- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1C(NC(C)=O)CC2- InChIKey
WMGVUPQJTLLFOE-UHFFFAOYSA-N- Molecular formula
- C23H28N2O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19473662
Names & identifiers
- Preferred name
- N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- IUPAC
- N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
55340-40-4NSC403157Oprea1_805523N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideSCHEMBL25435046DTXSID00323145N-{10-[(2-Hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamideAKOS040825469NSC-403157N~1~-{(7S)-10-[(2-HYDROXYETHYL)AMINO]-1,2,3-TRIMETHOXY-9-OXO-5,6,7,9-TETRAHYDROBENZO[A]HEPTALEN-7-YL}ACETAMIDE
Database identifiers
- CAS
55340-40-4- PubChem CID
- 345504
- DTXSID
DTXSID00323145
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 774
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Compound notes
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