N-(4-ethylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(4-ethylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1097 |
| Compound Name: | N-(4-ethylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C26 H28 N6 O2 S |
| Smiles: | CCc1ccc(cc1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(C)c1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9467 |
| logD: | 3.8621 |
| logSw: | -3.8865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | JYGYEAHYFNSWNV-UHFFFAOYSA-N |