2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 5941-1387 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C21 H23 N3 O6 S2 |
| Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(=O)OCCNC1c2ccccc2S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6196 |
| logD: | 2.6195 |
| logSw: | -3.2907 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.767 |
| InChI Key: | LQAGMNBMPVHXRE-UHFFFAOYSA-N |