7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0454 |
| Compound Name: | 7-({4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methyl)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 527.59 |
| Molecular Formula: | C19 H19 F2 N7 O3 S3 |
| Smiles: | Cc1c(cnn1C(F)F)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9433 |
| logD: | 0.9417 |
| logSw: | -2.1498 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.127 |
| InChI Key: | BWNNAAQZBYSVRI-UHFFFAOYSA-N |