N-(4-bromo-2-fluorophenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-bromo-2-fluorophenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0352 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 593.47 |
| Molecular Formula: | C29 H22 Br F N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(Nc2ccc(cc2F)[Br])=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4936 |
| logD: | 6.3154 |
| logSw: | -5.5613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.774 |
| InChI Key: | FCAUQBAATDSZRK-UHFFFAOYSA-N |