N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(3-chloro-2-methylphenyl)-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: | G768-1539 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 501.03 |
| Molecular Formula: | C22 H21 Cl N6 O2 S2 |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7111 |
| logD: | 3.6265 |
| logSw: | -3.9561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.601 |
| InChI Key: | JTMFJAYXOKAMKA-UHFFFAOYSA-N |