2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzene-1-sulfonate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzene-1-sulfonate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-8734 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzene-1-sulfonate |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Smiles: | Cc1ccc(c(C)c1)S(=O)(=O)OCCNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1635 |
| logD: | 2.1635 |
| logSw: | -2.8559 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.287 |
| InChI Key: | XNHDJDOCBPFSJU-UHFFFAOYSA-N |