2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-nitrobenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-nitrobenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3680-0014 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-nitrobenzoate |
| Molecular Weight: | 375.36 |
| Molecular Formula: | C16 H13 N3 O6 S |
| Smiles: | C(COC(c1cccc(c1)[N+]([O-])=O)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3479 |
| logD: | 2.3479 |
| logSw: | -3.0789 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.437 |
| InChI Key: | RUEYQTBHJGLGQI-UHFFFAOYSA-N |