2-imino-16-(pyridin-4-yl)decahydro-14a,3-(epoxymethano)cyclododeca[b]pyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-imino-16-(pyridin-4-yl)decahydro-14a,3-(epoxymethano)cyclododeca[b]pyran-3,4,4(2H,4aH)-tricarbonitrile
2-imino-16-(pyridin-4-yl)decahydro-14a,3-(epoxymethano)cyclododeca[b]pyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-8844 |
| Compound Name: | 2-imino-16-(pyridin-4-yl)decahydro-14a,3-(epoxymethano)cyclododeca[b]pyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | C1CCCCCC23C(CCCC1)C(C#N)(C#N)C(C#N)(C(c1ccncc1)O2)C(=N)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6035 |
| logD: | 4.6022 |
| logSw: | -4.4082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.408 |
| InChI Key: | YYQWGEUXAVURMY-UHFFFAOYSA-N |