2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(3-methylphenyl)acetamide
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D289-0168 |
| Compound Name: | 2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C21 H17 Br N2 O3 S |
| Smiles: | Cc1cccc(c1)NC(CN1c2ccc(cc2c2ccccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.979 |
| logD: | 4.979 |
| logSw: | -4.5915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.911 |
| InChI Key: | MMNLAXFOCGOGPM-UHFFFAOYSA-N |