Basic information
- CAS
86010-42-6- Standard SMILES
COc1cc(CC(=O)N2CCCN(C)CC2)cc(OC)c1OC- InChIKey
IOSBMGSIHBFNIS-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.18925731
Names & identifiers
- Preferred name
- 1-(4-Methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethan-1-one
- IUPAC
- 1-(4-methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
DTXSID001137181AKOS0170358171-(4-Methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethan-1-one1-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone86010-42-6
Database identifiers
- CAS
86010-42-6- PubChem CID
- 78769321
- DTXSID
DTXSID001137181
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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