diethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
Chemical Structure Depiction of
diethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
diethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
Compound characteristics
| Compound ID: | 3483-0063 |
| Compound Name: | diethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C18 H20 N4 O4 |
| Smiles: | CCOC(CC1=CC(C)(CC(=O)OCC)C(C#N)(C#N)C(=C1C#N)N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3007 |
| logD: | 1.3007 |
| logSw: | -1.8432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.024 |
| InChI Key: | JHMKMQFKWGEFCT-KRWDZBQOSA-N |