2-butyl-7-{4-[2,6-dinitro-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-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C363-0007 |
| Compound Name: | 2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 527.48 |
| Molecular Formula: | C20 H20 F3 N7 O5 S |
| Smiles: | CCCCC1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1084 |
| logD: | 5.0876 |
| logSw: | -5.2965 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.363 |
| InChI Key: | MESVENFGOJWQDM-UHFFFAOYSA-N |