7-{[4-(2,4-dimethylbenzene-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-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0537 |
| Compound Name: | 7-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C25 H27 N5 O4 S2 |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4071 |
| logD: | 3.4055 |
| logSw: | -3.644 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.066 |
| InChI Key: | ZCLJIXKFRINDPB-UHFFFAOYSA-N |