2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 4-bromobenzoate
Chemical Structure Depiction of
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 4-bromobenzoate
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8010-0499 |
| Compound Name: | 2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 4-bromobenzoate |
| Molecular Weight: | 654.56 |
| Molecular Formula: | C29 H24 Br N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)N(CCOC(c1ccc(cc1)[Br])=O)S(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.164 |
| logD: | 5.8645 |
| logSw: | -5.5499 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.424 |
| InChI Key: | QXGNSXVAEOGSCV-UHFFFAOYSA-N |