N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
Compound characteristics
| Compound ID: | K261-0870 |
| Compound Name: | N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide |
| Molecular Weight: | 516.37 |
| Molecular Formula: | C22 H18 Br N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(N(CC(Nc2ccc(cc2)[Br])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4768 |
| logD: | 4.4767 |
| logSw: | -4.2073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.436 |
| InChI Key: | TWMOXXGICSYKLV-UHFFFAOYSA-N |