N-(4-iodophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-iodophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-iodophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0042 |
| Compound Name: | N-(4-iodophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 472.3 |
| Molecular Formula: | C20 H13 I N2 O2 S |
| Smiles: | c1ccc2c(c1)C(Nc1cc(ccc1S2)C(Nc1ccc(cc1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6107 |
| logD: | 5.6067 |
| logSw: | -5.8971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.267 |
| InChI Key: | PVQWRXLIERDLSY-UHFFFAOYSA-N |