2-(4-chlorophenyl)-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-(4-chlorophenyl)-7-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-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: | F570-0253 |
| Compound Name: | 2-(4-chlorophenyl)-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: | 544.09 |
| Molecular Formula: | C25 H26 Cl N5 O3 S2 |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5091 |
| logD: | 4.5074 |
| logSw: | -4.5977 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | QQXRKZRQMQUORX-UHFFFAOYSA-N |