2-(2-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-(2-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-(2-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: | F570-0058 |
| Compound Name: | 2-(2-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: | Cc1cc(C)c(cc1C)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1C)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1477 |
| logD: | 4.1461 |
| logSw: | -4.1878 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | RPTILOWXSHKHFT-UHFFFAOYSA-N |