N-(4-bromo-3-methylphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-bromo-3-methylphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0026 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C21 H15 Br N2 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5746 |
| logD: | 5.5707 |
| logSw: | -5.4142 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.267 |
| InChI Key: | OTGZJLKFAKDYOT-UHFFFAOYSA-N |