methyl 2-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
methyl 2-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Compound characteristics
| Compound ID: | 8004-8027 |
| Compound Name: | methyl 2-[(6-nitro-1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate |
| Molecular Weight: | 361.33 |
| Molecular Formula: | C15 H11 N3 O6 S |
| Smiles: | COC(c1ccccc1NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4378 |
| logD: | 0.346 |
| logSw: | -3.1197 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.702 |
| InChI Key: | GDFJFQZBSMNWLZ-UHFFFAOYSA-N |