N-(2-bromo-4,6-difluorophenyl)-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-(2-bromo-4,6-difluorophenyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-bromo-4,6-difluorophenyl)-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: | C700-0356 |
| Compound Name: | N-(2-bromo-4,6-difluorophenyl)-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: | 611.46 |
| Molecular Formula: | C29 H21 Br F2 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(Nc2c(cc(cc2[Br])F)F)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9029 |
| logD: | 5.1394 |
| logSw: | -5.4301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.076 |
| InChI Key: | IUIRLHPOBQNRPA-UHFFFAOYSA-N |