2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl thiophene-2-carboxylate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl thiophene-2-carboxylate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6681-0027 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl thiophene-2-carboxylate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C14 H12 N2 O4 S2 |
| Smiles: | C(COC(c1cccs1)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0853 |
| logD: | 2.0853 |
| logSw: | -2.9463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.074 |
| InChI Key: | QTNRRYNCUTVURP-UHFFFAOYSA-N |