methyl 4-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)oxy]benzoate
Chemical Structure Depiction of
methyl 4-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)oxy]benzoate
methyl 4-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)oxy]benzoate
Compound characteristics
| Compound ID: | 8001-6562 |
| Compound Name: | methyl 4-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)oxy]benzoate |
| Molecular Weight: | 362.32 |
| Molecular Formula: | C15 H10 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)OC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.627 |
| logD: | 2.627 |
| logSw: | -3.2855 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.691 |
| InChI Key: | XBMDKLNCMLIFDU-UHFFFAOYSA-N |