3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3680-0016 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate |
| Molecular Weight: | 423.4 |
| Molecular Formula: | C20 H13 N3 O6 S |
| Smiles: | c1ccc2c(c1)C(Nc1cccc(c1)OC(c1cccc(c1)[N+]([O-])=O)=O)=NS2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1694 |
| logD: | 3.119 |
| logSw: | -3.8692 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.604 |
| InChI Key: | KMIPCBLKIQOWES-UHFFFAOYSA-N |