N,N-diethyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
Chemical Structure Depiction of
N,N-diethyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
N,N-diethyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
Compound characteristics
| Compound ID: | D257-0696 |
| Compound Name: | N,N-diethyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Smiles: | CCN(CC)C(c1ccccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1317 |
| logD: | 1.1309 |
| logSw: | -2.4916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.567 |
| InChI Key: | KMWQYHKBIMKOBX-UHFFFAOYSA-N |