4-chloro-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl benzoate
Chemical Structure Depiction of
4-chloro-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl benzoate
4-chloro-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl benzoate
Compound characteristics
| Compound ID: | 8010-5977 |
| Compound Name: | 4-chloro-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl benzoate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C20 H13 Cl N2 O4 S |
| Smiles: | c1ccc(cc1)C(=O)Oc1ccc(cc1NC1c2ccccc2S(N=1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8522 |
| logD: | 2.482 |
| logSw: | -4.4863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.611 |
| InChI Key: | TYUGZCBXBIJXIT-UHFFFAOYSA-N |