7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0291 |
| Compound Name: | 7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 539.56 |
| Molecular Formula: | C21 H20 F3 N7 O3 S2 |
| Smiles: | Cc1c(cnn1C(F)F)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1F)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.028 |
| logD: | 1.0264 |
| logSw: | -2.3882 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.109 |
| InChI Key: | XXYRPCSHKMMPPH-UHFFFAOYSA-N |