[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanone
Chemical Structure Depiction of
[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanone
[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanone
Compound characteristics
| Compound ID: | E958-0048 |
| Compound Name: | [4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanone |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C22 H25 N7 O3 S |
| Smiles: | C1CN(CCC1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)c1nnc(n2cccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5083 |
| logD: | 3.5083 |
| logSw: | -3.5113 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.101 |
| InChI Key: | KGQOMJZBCOEFJO-UHFFFAOYSA-N |