2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Chemical Structure Depiction of
2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Compound characteristics
| Compound ID: | C909-0290 |
| Compound Name: | 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C22 H19 N3 O5 S2 |
| Smiles: | C1CN(CCN1C(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8314 |
| logD: | 3.8314 |
| logSw: | -4.0442 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.722 |
| InChI Key: | IDHRQRYTATWIIY-UHFFFAOYSA-N |