6-amino-8-[4-(propan-2-yl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-[4-(propan-2-yl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
6-amino-8-[4-(propan-2-yl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-6446 |
| Compound Name: | 6-amino-8-[4-(propan-2-yl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C21 H20 N4 S |
| Smiles: | CC(C)c1ccc(cc1)C1C2CSCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2263 |
| logD: | 4.2261 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | DOQZLYHJAPRIQA-UHFFFAOYSA-N |