N-tert-butyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
Chemical Structure Depiction of
N-tert-butyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
N-tert-butyl-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzamide
Compound characteristics
| Compound ID: | D257-0682 |
| Compound Name: | N-tert-butyl-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: | CC(C)(C)NC(c1ccccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4847 |
| logD: | 1.4844 |
| logSw: | -2.5564 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.144 |
| InChI Key: | YBMKWLCYPKUFPH-UHFFFAOYSA-N |