3,4,4-tricyano-2-(pyridin-3-yl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxamide--acetic acid (1/1)
Chemical Structure Depiction of
3,4,4-tricyano-2-(pyridin-3-yl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxamide--acetic acid (1/1)
3,4,4-tricyano-2-(pyridin-3-yl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8020-8166 |
| Compound Name: | 3,4,4-tricyano-2-(pyridin-3-yl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxamide--acetic acid (1/1) |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C18 H15 N5 O2 |
| Salt: | CH3COOH |
| Smiles: | C1CCC2=C(C1)C(C#N)(C#N)C(C#N)(C(c1cccnc1)O2)C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0199 |
| logD: | 1.0199 |
| logSw: | -1.0412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.376 |
| InChI Key: | HXRQBAYDTDWCNI-UHFFFAOYSA-N |