2-ethyl-7-{[{[4-(propan-2-yl)phenyl]methyl}(propyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-{[{[4-(propan-2-yl)phenyl]methyl}(propyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-{[{[4-(propan-2-yl)phenyl]methyl}(propyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3626 |
| Compound Name: | 2-ethyl-7-{[{[4-(propan-2-yl)phenyl]methyl}(propyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | CCCN(CC1=CC(N2C(=N1)SC(CC)=N2)=O)Cc1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.601 |
| logD: | 3.9412 |
| logSw: | -4.1876 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.136 |
| InChI Key: | FNBIITGKAUERHJ-UHFFFAOYSA-N |