4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3680-0017 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | C(CCOC(c1ccc(cc1)[N+]([O-])=O)=O)CNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5999 |
| logD: | 2.5999 |
| logSw: | -3.2891 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.437 |
| InChI Key: | OTENBFAFBBLNLI-UHFFFAOYSA-N |