N-[3-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-[3-(methylsulfanyl)phenyl]-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: | G768-1554 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C22 H22 N6 O2 S3 |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9687 |
| logD: | 2.8841 |
| logSw: | -3.4381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.299 |
| InChI Key: | VXGGWAXHNGUGSV-UHFFFAOYSA-N |