3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile
Chemical Structure Depiction of
3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile
3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-9729 |
| Compound Name: | 3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile |
| Molecular Weight: | 322.3 |
| Molecular Formula: | C17 H11 F N4 O2 |
| Smiles: | C1C(C=O)=C(C(CC(c2ccc(cc2)F)=O)(C#N)C1(C#N)C#N)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8053 |
| logD: | 0.8053 |
| logSw: | -1.4537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.207 |
| InChI Key: | NTQOKJZPTQBYSC-QGZVFWFLSA-N |