7-{[ethyl(phenyl)amino]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[ethyl(phenyl)amino]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[ethyl(phenyl)amino]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0055 |
| Compound Name: | 7-{[ethyl(phenyl)amino]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | CCN(CC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5551 |
| logD: | 3.532 |
| logSw: | -3.6336 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.282 |
| InChI Key: | FHXXOBPSQKKVIR-UHFFFAOYSA-N |