2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D289-0307 |
| Compound Name: | 2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 489.41 |
| Molecular Formula: | C21 H17 Br N2 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1c2ccc(cc2c2ccccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 5.08 |
| logSw: | -4.8425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.911 |
| InChI Key: | HOUKCDLYEBVTSW-UHFFFAOYSA-N |