6-amino-8-(pyridin-3-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(pyridin-3-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
6-amino-8-(pyridin-3-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Compound characteristics
| Compound ID: | 4379-0622 |
| Compound Name: | 6-amino-8-(pyridin-3-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile |
| Molecular Weight: | 319.39 |
| Molecular Formula: | C17 H13 N5 S |
| Smiles: | C1C=C2C(CS1)C(c1cccnc1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7297 |
| logD: | 1.7295 |
| logSw: | -1.6532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.873 |
| InChI Key: | ASBDKQZMUHPGDY-UHFFFAOYSA-N |