6,8-dimethyl-5,5-dioxo-N-phenyl-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-5,5-dioxo-N-phenyl-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
6,8-dimethyl-5,5-dioxo-N-phenyl-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
Compound characteristics
| Compound ID: | 8019-9276 |
| Compound Name: | 6,8-dimethyl-5,5-dioxo-N-phenyl-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C21 H18 N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(C)S(c1cc(ccc1O2)C(Nc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1632 |
| logD: | 4.1631 |
| logSw: | -4.3675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.626 |
| InChI Key: | RZOPVEUDPYATDJ-UHFFFAOYSA-N |