2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 2,4-dichlorobenzoate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 2,4-dichlorobenzoate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 2,4-dichlorobenzoate
Compound characteristics
Compound ID: | 8008-4225 |
Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 2,4-dichlorobenzoate |
Molecular Weight: | 443.3 |
Molecular Formula: | C18 H16 Cl2 N2 O5 S |
Smiles: | C(COCCOC(c1ccc(cc1[Cl])[Cl])=O)NC1c2ccccc2S(N=1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1428 |
logD: | 3.1428 |
logSw: | -3.9316 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.327 |
InChI Key: | QGSZJRNURNPITN-UHFFFAOYSA-N |