7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0969 |
| Compound Name: | 7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C26 H27 N5 O5 S |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccc(c(c3)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.833 |
| logD: | 1.8294 |
| logSw: | -2.5984 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.264 |
| InChI Key: | VOCBRNKPBGDNKH-UHFFFAOYSA-N |