7-{4-[2,6-dinitro-4-(trifluoromethyl)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-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C363-0009 |
| Compound Name: | 7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 513.45 |
| Molecular Formula: | C19 H18 F3 N7 O5 S |
| Smiles: | CC(C)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5864 |
| logD: | 4.4242 |
| logSw: | -4.7399 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.46 |
| InChI Key: | XBMVANXRKFQBQL-UHFFFAOYSA-N |