3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-bromobenzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-bromobenzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8008-3330 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-bromobenzoate |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C20 H13 Br N2 O4 S |
| Smiles: | c1ccc2c(c1)C(Nc1cccc(c1)OC(c1ccc(cc1)[Br])=O)=NS2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1776 |
| logD: | 4.1272 |
| logSw: | -4.5066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.222 |
| InChI Key: | AJODCRJHUMCQPK-UHFFFAOYSA-N |