N-{5-[4-(4-chloro-2-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}pentanamide
Chemical Structure Depiction of
N-{5-[4-(4-chloro-2-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}pentanamide
N-{5-[4-(4-chloro-2-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}pentanamide
Compound characteristics
| Compound ID: | E157-1793 |
| Compound Name: | N-{5-[4-(4-chloro-2-nitrophenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}pentanamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C17 H21 Cl N6 O5 S2 |
| Smiles: | CCCCC(Nc1nnc(s1)S(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5172 |
| logD: | 3.0479 |
| logSw: | -3.9483 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.459 |
| InChI Key: | GKDLMOVBKHBGMT-UHFFFAOYSA-N |