2-(azepane-1-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
2-(azepane-1-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Compound characteristics
| Compound ID: | C909-0281 |
| Compound Name: | 2-(azepane-1-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C18 H19 N O3 S2 |
| Smiles: | C1CCCN(CC1)C(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6449 |
| logD: | 3.6449 |
| logSw: | -3.8131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.411 |
| InChI Key: | VMJJIVXPIMSPLI-UHFFFAOYSA-N |