Methyl 3-methoxy-2-(4-methyl-2,5-dioxopiperazin-1-yl)benzoate
Basic information
- CAS
50627-32-2- Standard SMILES
COC(=O)c1cccc(OC)c1N1CC(=O)N(C)CC1=O- InChIKey
XZNCGJWZJJXCOM-UHFFFAOYSA-N- Molecular formula
- C14H16N2O5
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.10592162
Names & identifiers
- Preferred name
- Methyl 3-methoxy-2-(4-methyl-2,5-dioxopiperazin-1-yl)benzoate
- IUPAC
- methyl 3-methoxy-2-(4-methyl-2,5-dioxopiperazin-1-yl)benzoate
Names & synonyms
methyl 3-methoxy-2-(4-methyl-2,5-dioxopiperazin-1-yl)benzoatemethyl 3-methoxy-2-(4-methyl-2,5-dioxo-1-piperazinyl)benzoateDTXSID50118058550627-32-2
Database identifiers
- CAS
50627-32-2- PubChem CID
- 24976458
- DTXSID
DTXSID501180585- Nikkaji
- J2.959.480E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…