N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
Chemical Structure Depiction of
N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
Compound characteristics
| Compound ID: | E157-1718 |
| Compound Name: | N-{5-[4-(2-chloro-4-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C17 H21 Cl N6 O5 S2 |
| Smiles: | CC(C)CC(Nc1nnc(s1)S(N1CCN(CC1)c1ccc(cc1[Cl])[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8317 |
| logD: | 3.2237 |
| logSw: | -4.3186 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.759 |
| InChI Key: | HBWLKPSZPGMSFU-UHFFFAOYSA-N |