N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | E157-2832 |
| Compound Name: | N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C17 H22 N4 O5 S2 |
| Smiles: | COc1ccc(cc1OC)C(Nc1nnc(s1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8132 |
| logD: | 2.042 |
| logSw: | -3.4707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.952 |
| InChI Key: | XRTJRVAXMUUWLA-UHFFFAOYSA-N |