butyl 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
butyl 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate
Compound characteristics
| Compound ID: | 5306-0190 |
| Compound Name: | butyl 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzoate |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C18 H18 N2 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8315 |
| logD: | 3.6552 |
| logSw: | -3.9382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.892 |
| InChI Key: | CBRKEGYQVYULIM-UHFFFAOYSA-N |