3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 4-fluorobenzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 4-fluorobenzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5251-2413 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 4-fluorobenzoate |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C17 H15 F N2 O4 S |
| Smiles: | C(CNC1c2ccccc2S(N=1)(=O)=O)COC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6742 |
| logD: | 2.6742 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.056 |
| InChI Key: | HVBOFIZFIWSGQO-UHFFFAOYSA-N |