4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3-chloro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1055 |
| Compound Name: | 4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(3-chloro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 525.83 |
| Molecular Formula: | C20 H14 Br Cl N2 O4 S2 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(CC(c2ccc(s2)[Br])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7355 |
| logD: | 5.7355 |
| logSw: | -5.8218 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.008 |
| InChI Key: | QCZKRTSIQIMEGX-UHFFFAOYSA-N |