N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide
N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | E157-1673 |
| Compound Name: | N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 446.89 |
| Molecular Formula: | C14 H15 Cl N6 O5 S2 |
| Smiles: | CC(Nc1nnc(s1)S(N1CCN(CC1)c1ccc(cc1[Cl])[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6199 |
| logD: | 2.391 |
| logSw: | -3.5118 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.872 |
| InChI Key: | BYQRQRXFMGKKCC-UHFFFAOYSA-N |