N-(4-bromo-2-fluorophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-bromo-2-fluorophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0031 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 443.29 |
| Molecular Formula: | C20 H12 Br F N2 O2 S |
| Smiles: | c1ccc2c(c1)C(Nc1cc(ccc1S2)C(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2788 |
| logD: | 5.0655 |
| logSw: | -5.5691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.569 |
| InChI Key: | LABQZZWJFTUZFF-UHFFFAOYSA-N |