2-butyl-7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C363-0013 |
| Compound Name: | 2-butyl-7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 482.48 |
| Molecular Formula: | C20 H21 F3 N6 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5151 |
| logD: | 4.4943 |
| logSw: | -4.5082 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.583 |
| InChI Key: | RKOFSNHRZVHNJZ-UHFFFAOYSA-N |