Basic information
- CAS
70960-84-8- Standard SMILES
COC1=C(NCCc2ccccc2)C(=O)C(C)=C(NCCc2ccccc2)C1=O- InChIKey
UAWMLVRXGJTQNC-UHFFFAOYSA-N- Molecular formula
- C24H26N2O3
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.1943427
Names & identifiers
- Preferred name
- 2-Methoxy-5-methyl-3,6-bis(phenethylamino)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-methoxy-5-methyl-3,6-bis(2-phenylethylamino)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
70960-84-8NSC2508212-methoxy-5-methyl-3,6-bis(phenethylamino)cyclohexa-2,5-diene-1,4-dioneDTXSID60312151NSC-2508212-METHOXY-5-METHYL-3,5-CYCLOHEXADIENE-1,4-DIONE2-Methoxy-5-methyl-3,6-bis[(2-phenylethyl)amino]cyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
70960-84-8- PubChem CID
- 317652
- DTXSID
DTXSID60312151
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…