7-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C363-0015 |
| Compound Name: | 7-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 519.63 |
| Molecular Formula: | C26 H29 N7 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2ccc(c(c2)NCc2ccccc2)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.89 |
| logD: | 4.8692 |
| logSw: | -4.6631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.421 |
| InChI Key: | HCFAGKCIYMHWEM-UHFFFAOYSA-N |