N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | E157-2825 |
| Compound Name: | N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C16 H20 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1nnc(s1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5601 |
| logD: | 1.4165 |
| logSw: | -3.7274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.691 |
| InChI Key: | VSSCPGLKWXCKSB-UHFFFAOYSA-N |