N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D034-0283 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C21 H23 N3 O6 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0781 |
| logD: | 2.0778 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.375 |
| InChI Key: | CIRWZGGESKUJHD-UHFFFAOYSA-N |