4-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-2314 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(CC(N2CCCCCC2)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0567 |
| logD: | 4.0567 |
| logSw: | -4.0733 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.466 |
| InChI Key: | WAAWVJRACRRICB-UHFFFAOYSA-N |