1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
Chemical Structure Depiction of
1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | G397-0040 |
| Compound Name: | 1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C21 H25 N7 O4 S |
| Smiles: | C1CC(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)N(C1)c1nnc(N2CCCC2=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1924 |
| logD: | 2.1924 |
| logSw: | -2.347 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.991 |
| InChI Key: | ROUWKEOPSXBWPT-KRWDZBQOSA-N |