7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0525 |
| Compound Name: | 7-{[4-(3,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 533.57 |
| Molecular Formula: | C23 H21 F2 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)S(c3ccc(c(c3)F)F)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9274 |
| logD: | 2.9258 |
| logSw: | -3.5643 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.066 |
| InChI Key: | KMQRCIHJNUFMHP-UHFFFAOYSA-N |