7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0011 |
| Compound Name: | 7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 503.55 |
| Molecular Formula: | C22 H19 F2 N5 O3 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.84 |
| logD: | 2.8383 |
| logSw: | -3.3991 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | ZTCCJEISZVHGNX-UHFFFAOYSA-N |