N-(3-chlorophenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(3-chlorophenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1514 |
| Compound Name: | N-(3-chlorophenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 487 |
| Molecular Formula: | C21 H19 Cl N6 O2 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2613 |
| logD: | 3.1767 |
| logSw: | -3.519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.299 |
| InChI Key: | BPPZIOVHXLIYJL-UHFFFAOYSA-N |