7-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F526-0023 |
| Compound Name: | 7-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C21 H18 N6 O5 S2 |
| Smiles: | C1CN(CCN1C1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7388 |
| logD: | 2.7313 |
| logSw: | -3.4058 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.269 |
| InChI Key: | NVIQAKIZKUNKAZ-UHFFFAOYSA-N |