2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl benzoate
Chemical Structure Depiction of
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl benzoate
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl benzoate
Compound characteristics
| Compound ID: | 4489-8455 |
| Compound Name: | 2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl benzoate |
| Molecular Weight: | 591.66 |
| Molecular Formula: | C29 H25 N3 O7 S2 |
| Smiles: | COc1ccccc1N(CCOC(c1ccccc1)=O)S(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5785 |
| logD: | 4.279 |
| logSw: | -4.359 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.754 |
| InChI Key: | OUITYHXALDTIAE-UHFFFAOYSA-N |