2-(3-methylphenyl)-7-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-methylphenyl)-7-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-7-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0103 |
| Compound Name: | 2-(3-methylphenyl)-7-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 523.68 |
| Molecular Formula: | C26 H29 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)S(c3cc(C)c(C)cc3C)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2596 |
| logD: | 4.258 |
| logSw: | -4.2245 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | SILNZESDFOZSBC-UHFFFAOYSA-N |