5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Chemical Structure Depiction of
5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid
5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Compound characteristics
| Compound ID: | K783-2921 |
| Compound Name: | 5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid |
| Molecular Weight: | 303.29 |
| Molecular Formula: | C14 H9 N O5 S |
| Smiles: | c1ccc2c(c1)C(Nc1cc(ccc1S2(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9837 |
| logD: | -0.5703 |
| logSw: | -2.7561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.564 |
| InChI Key: | UEKIEJNYSPXCAW-UHFFFAOYSA-N |