3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-1-benzopyran-4-carboxamide
Chemical Structure Depiction of
3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-1-benzopyran-4-carboxamide
3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-1-benzopyran-4-carboxamide
Compound characteristics
| Compound ID: | 8018-1342 |
| Compound Name: | 3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-1-benzopyran-4-carboxamide |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C14 H16 N4 O3 |
| Smiles: | CC1C(C#N)(C#N)C(C#N)(C2CCCCC2(O)O1)C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4742 |
| logD: | 0.4742 |
| logSw: | -0.626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.636 |
| InChI Key: | MNGGQDUHBPABEF-UHFFFAOYSA-N |