2-amino-8a-(morpholin-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
Chemical Structure Depiction of
2-amino-8a-(morpholin-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
2-amino-8a-(morpholin-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
Compound characteristics
| Compound ID: | 8017-6207 |
| Compound Name: | 2-amino-8a-(morpholin-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-1-benzopyran-3,4,4-tricarbonitrile |
| Molecular Weight: | 313.36 |
| Molecular Formula: | C16 H19 N5 O2 |
| Smiles: | C1CCC2(C(C1)C(C#N)(C#N)C(C#N)=C(N)O2)N1CCOCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.945 |
| logD: | 0.945 |
| logSw: | -0.9801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.362 |
| InChI Key: | VTMMTIMMPSNWFI-UHFFFAOYSA-N |