7-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0124 |
| Compound Name: | 7-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 534.03 |
| Molecular Formula: | C23 H21 Cl F N5 O3 S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)S(c3ccc(c(c3)[Cl])F)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4232 |
| logD: | 3.4216 |
| logSw: | -3.8229 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | FCBNKCJLVRONLR-UHFFFAOYSA-N |