2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-nitrobenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-nitrobenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3971-1750 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-nitrobenzoate |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | C(COC(c1cccc(c1)[N+]([O-])=O)=O)N(C1c2ccccc2S(N=1)(=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1069 |
| logD: | 4.1069 |
| logSw: | -4.3202 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.241 |
| InChI Key: | MDGAWMKFLSBROQ-UHFFFAOYSA-N |