2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methoxybenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methoxybenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | 4137-0345 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methoxybenzoate |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C17 H16 N2 O5 S |
| Smiles: | COc1cccc(c1)C(=O)OCCNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4642 |
| logD: | 2.4642 |
| logSw: | -3.0121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.6 |
| InChI Key: | GYNQJRHSIMPXLT-UHFFFAOYSA-N |