3-methyl-N-{5-[4-(2-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}butanamide
Chemical Structure Depiction of
3-methyl-N-{5-[4-(2-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}butanamide
3-methyl-N-{5-[4-(2-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | E157-1870 |
| Compound Name: | 3-methyl-N-{5-[4-(2-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}butanamide |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C18 H25 N5 O3 S2 |
| Smiles: | CC(C)CC(Nc1nnc(s1)S(N1CCN(CC1)c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7357 |
| logD: | 3.1278 |
| logSw: | -3.9573 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.378 |
| InChI Key: | PVRDDWOAJSFCNL-UHFFFAOYSA-N |