10-imino-2-(pyridin-3-yl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
10-imino-2-(pyridin-3-yl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
10-imino-2-(pyridin-3-yl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-7966 |
| Compound Name: | 10-imino-2-(pyridin-3-yl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 333.35 |
| Molecular Formula: | C18 H15 N5 O2 |
| Smiles: | C1CCC23C(C1)C(C#N)(C(=N)O3)C(C#N)(C#N)C(c1cccnc1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5824 |
| logD: | 1.5824 |
| logSw: | -1.2378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.532 |
| InChI Key: | TUNJAGRBRMZMRP-UHFFFAOYSA-N |