6-tert-butyl-2-(4-hydroxy-3-methoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
6-tert-butyl-2-(4-hydroxy-3-methoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
6-tert-butyl-2-(4-hydroxy-3-methoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-7967 |
| Compound Name: | 6-tert-butyl-2-(4-hydroxy-3-methoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CC(C)(C)C1CCC23C(C1)C(C#N)(C(=N)O3)C(C#N)(C#N)C(c1ccc(c(c1)OC)O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5153 |
| logD: | 3.5136 |
| logSw: | -3.4731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.193 |
| InChI Key: | PGLZVZXJDOKOQM-UHFFFAOYSA-N |