methyl 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
methyl 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Compound characteristics
| Compound ID: | D257-0705 |
| Compound Name: | methyl 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C15 H12 N2 O4 S |
| Smiles: | COC(c1cccc(c1)NC1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5167 |
| logD: | 2.5004 |
| logSw: | -3.1157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.018 |
| InChI Key: | IMTJHKSCOZHINM-UHFFFAOYSA-N |