4-tert-butyl-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
4-tert-butyl-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0572 |
| Compound Name: | 4-tert-butyl-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5769 |
| logD: | 4.5762 |
| logSw: | -4.3752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.228 |
| InChI Key: | UQUNMVLJEBMRIZ-UHFFFAOYSA-N |