2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0102 |
| Compound Name: | 2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CCC1=NN2C(=NC(CN(C)c3cccc(C)c3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1032 |
| logD: | 3.085 |
| logSw: | -3.1559 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.401 |
| InChI Key: | YGSQABNDEJXHIN-UHFFFAOYSA-N |