2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl 2-bromobenzoate
Chemical Structure Depiction of
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl 2-bromobenzoate
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl 2-bromobenzoate
Compound characteristics
| Compound ID: | 8008-5688 |
| Compound Name: | 2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(2-methoxyphenyl)amino]ethyl 2-bromobenzoate |
| Molecular Weight: | 670.56 |
| Molecular Formula: | C29 H24 Br N3 O7 S2 |
| Smiles: | COc1ccccc1N(CCOC(c1ccccc1[Br])=O)S(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7893 |
| logD: | 4.4898 |
| logSw: | -4.5462 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.754 |
| InChI Key: | SLRMLYPTRFBERZ-UHFFFAOYSA-N |