4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1129 |
| Compound Name: | 4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 537.41 |
| Molecular Formula: | C21 H17 Br N2 O6 S2 |
| Smiles: | COc1cc(cc(c1)OC)N1C(N(CC(c2ccc(s2)[Br])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8381 |
| logD: | 4.8381 |
| logSw: | -4.5607 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.096 |
| InChI Key: | SRZZFSQLQMKHTC-UHFFFAOYSA-N |