2-(3-chlorophenyl)-7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-chlorophenyl)-7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0401 |
| Compound Name: | 2-(3-chlorophenyl)-7-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 526.01 |
| Molecular Formula: | C25 H24 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1OC)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4876 |
| logD: | 2.484 |
| logSw: | -3.1995 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.72 |
| InChI Key: | YBMJWAPJTWNPIC-UHFFFAOYSA-N |