1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C700-1508 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8941 |
| logD: | 3.894 |
| logSw: | -3.8129 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.769 |
| InChI Key: | IXIZMIGSFNYAEM-UHFFFAOYSA-N |