7-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0856 |
| Compound Name: | 7-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | COc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9416 |
| logD: | 2.9377 |
| logSw: | -3.5221 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.003 |
| InChI Key: | AKVYEVJLNMNIKV-UHFFFAOYSA-N |