AC1NR2DW
Basic information
- CAS
5814-61-9- Standard SMILES
CCOC(=O)C1C(=O)C=C(Nc2ccccc2C#N)CC1c1cccc(OC)c1- InChIKey
ODOVRRLXVHBQDS-UHFFFAOYSA-N- Molecular formula
- C23H22N2O4
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.15795719
Names & identifiers
- Preferred name
- AC1NR2DW
- IUPAC
- ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Names & synonyms
AC1NR2DW5814-61-9DTXSID70411947RefChem:314096DTXCID80362799ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylateEthyl 5-(2-cyanoanilino)-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylateSTK773161AKOS005617422ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Database identifiers
- CAS
5814-61-9- PubChem CID
- 5233299
- DTXSID
DTXSID70411947
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…