methyl (6-nitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
Chemical Structure Depiction of
methyl (6-nitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
methyl (6-nitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8012-0577 |
| Compound Name: | methyl (6-nitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate |
| Molecular Weight: | 284.24 |
| Molecular Formula: | C10 H8 N2 O6 S |
| Smiles: | COC(CN1C(c2ccc(cc2S1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5404 |
| logD: | 0.5404 |
| logSw: | -2.4124 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.192 |
| InChI Key: | VPUMKHXFKQXYIC-UHFFFAOYSA-N |