6-amino-8-(4-methylphenyl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(4-methylphenyl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
6-amino-8-(4-methylphenyl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-6444 |
| Compound Name: | 6-amino-8-(4-methylphenyl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile |
| Molecular Weight: | 332.43 |
| Molecular Formula: | C19 H16 N4 S |
| Smiles: | Cc1ccc(cc1)C1C2CSCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3115 |
| logD: | 3.3113 |
| logSw: | -3.4642 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | WGMBQYIBNHRLRP-UHFFFAOYSA-N |