2-(4-fluorophenyl)-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-(4-fluorophenyl)-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-(4-fluorophenyl)-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8012-9267 |
| Compound Name: | 2-(4-fluorophenyl)-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C19 H15 F N4 O2 |
| Smiles: | C1CCC23C(C1)C(C#N)(C#N)C(C#N)(C(c1ccc(cc1)F)O2)C(=N)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8147 |
| logD: | 2.8146 |
| logSw: | -3.2376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.648 |
| InChI Key: | ZAHTUSMPCRFEFD-UHFFFAOYSA-N |