2-butyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0189 |
| Compound Name: | 2-butyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C19 H24 N4 O S |
| Smiles: | CCCCC1=NN2C(=NC(CN(CC)c3cccc(C)c3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5197 |
| logD: | 4.5171 |
| logSw: | -4.3537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.186 |
| InChI Key: | QFYUROBJOXZHAC-UHFFFAOYSA-N |