N-(2-methoxyphenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminopropano)xanthene-11-carboxamide
Basic information
- CAS
1217649-44-9- Standard SMILES
COc1ccccc1NC(=O)C1C(=O)CNC23CCCCC2C1c1ccccc1O3- InChIKey
ULEATJBIFMNAON-UHFFFAOYSA-N- Molecular formula
- C24H26N2O4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.18925731
Names & identifiers
- Preferred name
- N-(2-methoxyphenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminopropano)xanthene-11-carboxamide
- IUPAC
- N-(2-methoxyphenyl)-17-oxo-2-oxa-15-azatetracyclo[7.5.4.01,10.03,8]octadeca-3,5,7-triene-18-carboxamide
Names & synonyms
HMS1615N22AKOS001698623AKOS022007075EU-0015742SR-01000112763SR-01000112763-1N-(2-methoxyphenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminopropano)xanthene-11-carboxamide
Database identifiers
- CAS
1217649-44-9- PubChem CID
- 3259307
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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