7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C363-0016 |
| Compound Name: | 7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 519.63 |
| Molecular Formula: | C26 H29 N7 O3 S |
| Smiles: | CC(C)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2ccc(c(c2)NCCc2ccccc2)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5874 |
| logD: | 4.4251 |
| logSw: | -4.3926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.359 |
| InChI Key: | PFNQLMNRRLZRBJ-UHFFFAOYSA-N |