2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 4-fluorobenzoate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 4-fluorobenzoate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5058-0046 |
| Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 4-fluorobenzoate |
| Molecular Weight: | 392.4 |
| Molecular Formula: | C18 H17 F N2 O5 S |
| Smiles: | C(COCCOC(c1ccc(cc1)F)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1226 |
| logD: | 2.1226 |
| logSw: | -2.9691 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.327 |
| InChI Key: | HLDWJMHDDFNCNH-UHFFFAOYSA-N |